#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/19/2011999.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2011999
loop_
_publ_author_name
'Robinson, Paul D.'
'Lutfi, Hisham G.'
'Hou, Yuqing'
'Meyers, Cal Y.'
_publ_section_title
;
1,1-Bis(9-fluorenyl)ethyl acetate, a byproduct from the acetylation of
9-fluorenyllithium
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              582
_journal_page_last               584
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C30 H24 O2'
_chemical_formula_sum            'C30 H24 O2'
_chemical_formula_weight         416.49
_chemical_melting_point          442.2(8)
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.852(11)
_cell_angle_beta                 108.115(14)
_cell_angle_gamma                74.565(14)
_cell_formula_units_Z            4
_cell_length_a                   13.211(3)
_cell_length_b                   19.044(3)
_cell_length_c                   9.5505(12)
_cell_measurement_temperature    296
_cell_volume                     2194.7(6)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.260
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '441.5-443' was changed to '442.2(8)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2011999
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
O1 .71889(17) .12752(12) .5857(2) .0484(6) Uani d . 1 . . O
O2 .8552(3) .18119(14) .7233(3) .0788(9) Uani d . 1 . . O
C1 1.0024(3) -.06952(19) .7725(4) .0525(10) Uani d . 1 . . C
C2 1.0739(3) -.1371(2) .7933(4) .0637(11) Uani d . 1 . . C
C3 1.0822(3) -.1876(2) .6751(5) .0670(11) Uani d . 1 . . C
C4 1.0216(3) -.1710(2) .5328(4) .0590(10) Uani d . 1 . . C
C4a .9503(3) -.10268(18) .5114(4) .0450(9) Uani d . 1 . . C
C4b .8809(3) -.07008(19) .3745(4) .0455(9) Uani d . 1 . . C
C5 .8694(3) -.0973(2) .2282(4) .0544(10) Uani d . 1 . . C
C6 .8000(3) -.0545(2) .1186(4) .0617(11) Uani d . 1 . . C
C7 .7440(3) .0152(2) .1506(4) .0617(11) Uani d . 1 . . C
C8 .7561(3) .0436(2) .2968(4) .0511(9) Uani d . 1 . . C
C8a .8252(3) .00064(18) .4090(3) .0411(8) Uani d . 1 . . C
C9 .8584(2) .01863(17) .5760(3) .0391(8) Uani d . 1 . . C
C9a .9385(3) -.05232(18) .6314(4) .0435(9) Uani d . 1 . . C
C10 .7649(3) .05483(17) .6474(3) .0412(8) Uani d . 1 . . C
C11 .8037(3) .06241(18) .8148(3) .0516(10) Uani d . 1 . . C
C12 .7692(4) .1835(2) .6315(5) .0611(11) Uani d . 1 . . C
C13 .7017(4) .2489(2) .5500(5) .0973(16) Uani d . 1 . . C
C1X .7363(3) -.1196(2) .6153(4) .0568(10) Uani d . 1 . . C
C2X .7298(3) -.1809(2) .6727(5) .0672(11) Uani d . 1 . . C
C3X .6599(3) -.1745(2) .7585(4) .0683(12) Uani d . 1 . . C
C4X .5960(3) -.1071(2) .7882(4) .0587(10) Uani d . 1 . . C
C4aX .6038(3) -.04626(19) .7336(3) .0450(9) Uani d . 1 . . C
C4bX .5413(3) .02913(19) .7418(3) .0448(9) Uani d . 1 . . C
C5X .4619(3) .0611(2) .8141(4) .0571(10) Uani d . 1 . . C
C6X .4100(3) .1334(2) .7987(4) .0669(11) Uani d . 1 . . C
C7X .4338(3) .1731(2) .7094(4) .0641(11) Uani d . 1 . . C
C8X .5134(3) .14158(19) .6369(4) .0562(10) Uani d . 1 . . C
C8aX .5690(3) .06982(19) .6553(3) .0438(9) Uani d . 1 . . C
C9X .6614(2) .02274(17) .5945(3) .0414(8) Uani d . 1 . . C
C9aX .6741(3) -.05194(18) .6471(3) .0426(8) Uani d . 1 . . C
H1 .9972 -.0357 .8528 .063 Uiso calc R 1 . . H
H2 1.1170 -.1486 .8880 .076 Uiso calc R 1 . . H
H3 1.1291 -.2335 .6913 .080 Uiso calc R 1 . . H
H4 1.0284 -.2048 .4530 .071 Uiso calc R 1 . . H
H5 .9082 -.1438 .2053 .065 Uiso calc R 1 . . H
H6 .7904 -.0728 .0204 .074 Uiso calc R 1 . . H
H7 .6978 .0435 .0741 .074 Uiso calc R 1 . . H
H8 .7183 .0907 .3187 .061 Uiso calc R 1 . . H
H9 .9030 .0545 .5937 .047 Uiso calc R 1 . . H
H11a .0674 .5894 .6345 .075 Uiso calc R 1 . . H
H11b .1845 .5415 .6373 .075 Uiso calc R 1 . . H
H11c .1651 .6268 .6626 .075 Uiso calc R 1 . . H
H13a -.0648 .7865 .9222 .100 Uiso calc R 1 . . H
H13b .0567 .7677 1.0218 .100 Uiso calc R 1 . . H
H13c -.0315 .7345 1.0494 .100 Uiso calc R 1 . . H
H1X .7823 -.1244 .5561 .068 Uiso calc R 1 . . H
H2X .7729 -.2264 .6533 .081 Uiso calc R 1 . . H
H3X .6560 -.2157 .7960 .082 Uiso calc R 1 . . H
H4X .5481 -.1026 .8444 .070 Uiso calc R 1 . . H
H5X .4442 .0339 .8723 .069 Uiso calc R 1 . . H
H6X .3582 .1556 .8490 .080 Uiso calc R 1 . . H
H7X .3964 .2216 .6974 .077 Uiso calc R 1 . . H
H8X .5289 .1687 .5764 .067 Uiso calc R 1 . . H
H9X .6360 .0198 .4863 .050 Uiso calc R 1 . . H
O1' .12445(18) .65076(11) .9159(2) .0476(6) Uani d . 1 . . O
O2' -.0483(2) .66597(13) .7639(3) .0662(7) Uani d . 1 . . O
C1Y .1088(3) .4215(2) .6675(4) .0624(11) Uani d . 1 . . C
C2Y .1275(3) .3466(2) .6300(5) .0731(12) Uani d . 1 . . C
C3Y .1702(3) .2975(2) .7383(6) .0764(13) Uani d . 1 . . C
C4Y .1937(3) .3219(2) .8857(5) .0720(12) Uani d . 1 . . C
C4aY .1750(3) .3967(2) .9241(4) .0541(10) Uani d . 1 . . C
C4bY .1882(3) .4373(2) 1.0689(4) .0578(10) Uani d . 1 . . C
C5Y .2252(3) .4124(2) 1.2094(5) .0731(12) Uani d . 1 . . C
C6Y .2286(4) .4628(3) 1.3300(5) .0902(15) Uani d . 1 . . C
C7Y .1949(4) .5364(3) 1.3113(4) .0860(14) Uani d . 1 . . C
C8Y .1567(3) .5622(2) 1.1711(4) .0718(12) Uani d . 1 . . C
C8aY .1552(3) .5115(2) 1.0498(4) .0538(10) Uani d . 1 . . C
C9Y .1185(3) .52425(18) .8858(3) .0475(9) Uani d . 1 . . C
C9aY .1348(3) .44644(18) .8144(4) .0500(9) Uani d . 1 . . C
C10' .1705(3) .57971(17) .8445(3) .0441(8) Uani d . 1 . . C
C11' .1445(3) .58480(17) .6796(3) .0499(9) Uani d . 1 . . C
C12' .0178(3) .68522(19) .8713(4) .0512(9) Uani d . 1 . . C
C13' -.0077(3) .74911(19) .9754(4) .0665(11) Uani d . 1 . . C
C1Z .3819(3) .4375(2) .8194(4) .0645(11) Uani d . 1 . . C
C2Z .4523(3) .3959(2) .7395(5) .0763(13) Uani d . 1 . . C
C3Z .5096(3) .4290(2) .6825(5) .0786(13) Uani d . 1 . . C
C4Z .5003(3) .5029(2) .7056(4) .0662(11) Uani d . 1 . . C
C4aZ .4307(3) .54449(19) .7853(4) .0486(9) Uani d . 1 . . C
C4bZ .4127(3) .62182(19) .8354(4) .0537(10) Uani d . 1 . . C
C5Z .4642(3) .6745(2) .8210(5) .0754(12) Uani d . 1 . . C
C6Z .4407(4) .7428(2) .8911(6) .0913(15) Uani d . 1 . . C
C7Z .3686(4) .7587(2) .9745(5) .0866(14) Uani d . 1 . . C
C8Z .3158(3) .7073(2) .9881(4) .0691(12) Uani d . 1 . . C
C8aZ .3371(3) .6379(2) .9169(4) .0503(9) Uani d . 1 . . C
C9Z .2960(3) .57069(18) .9191(3) .0469(9) Uani d . 1 . . C
C9aZ .3683(3) .51251(19) .8398(4) .0469(9) Uani d . 1 . . C
H1Y .0792 .4542 .5943 .075 Uiso calc R 1 . . H
H2Y .1111 .3293 .5309 .088 Uiso calc R 1 . . H
H3Y .1832 .2475 .7113 .092 Uiso calc R 1 . . H
H4Y .2216 .2889 .9583 .086 Uiso calc R 1 . . H
H5Y .2472 .3626 1.2219 .088 Uiso calc R 1 . . H
H6Y .2539 .4469 1.4247 .108 Uiso calc R 1 . . H
H7Y .1978 .5696 1.3939 .103 Uiso calc R 1 . . H
H8Y .1328 .6121 1.1592 .086 Uiso calc R 1 . . H
H9Y .0394 .5450 .8600 .057 Uiso calc R 1 . . H
H11d .8731 .0756 .8464 .077 Uiso calc R 1 . . H
H11e .8114 .0168 .8524 .077 Uiso calc R 1 . . H
H11f .7511 .0997 .8515 .077 Uiso calc R 1 . . H
H13d .6320 .2637 .5702 .146 Uiso calc R 1 . . H
H13e .6910 .2369 .4458 .146 Uiso calc R 1 . . H
H13f .7388 .2881 .5815 .146 Uiso calc R 1 . . H
H1Z .3441 .4148 .8591 .077 Uiso calc R 1 . . H
H2Z .4605 .3456 .7247 .092 Uiso calc R 1 . . H
H3Z .5553 .4009 .6275 .094 Uiso calc R 1 . . H
H4Z .5403 .5249 .6681 .079 Uiso calc R 1 . . H
H5Z .5135 .6634 .7650 .091 Uiso calc R 1 . . H
H6Z .4739 .7785 .8819 .110 Uiso calc R 1 . . H
H7Z .3548 .8050 1.0229 .104 Uiso calc R 1 . . H
H8Z .2665 .7192 1.0444 .083 Uiso calc R 1 . . H
H9Z .3134 .5590 1.0216 .056 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 .0443(15) .0496(15) .0521(15) -.0121(12) .0156(12) .0000(12)
O2 .080(2) .076(2) .083(2) -.0425(18) .0159(18) -.0143(16)
C1 .051(2) .060(2) .042(2) -.013(2) .0079(19) -.0005(19)
C2 .053(3) .075(3) .059(3) -.011(2) .010(2) .016(2)
C3 .062(3) .059(3) .082(3) -.008(2) .022(3) .017(3)
C4 .060(3) .056(3) .067(3) -.018(2) .029(2) -.008(2)
C4a .039(2) .051(2) .050(2) -.0159(18) .0172(18) -.0005(19)
C4b .044(2) .061(2) .039(2) -.0227(19) .0178(18) -.0036(19)
C5 .060(3) .066(2) .046(2) -.025(2) .027(2) -.010(2)
C6 .073(3) .088(3) .037(2) -.038(3) .023(2) -.007(2)
C7 .062(3) .094(3) .039(2) -.035(2) .011(2) .011(2)
C8 .049(2) .061(2) .048(2) -.0178(19) .0159(19) .006(2)
C8a .036(2) .056(2) .038(2) -.0174(18) .0143(17) .0006(18)
C9 .036(2) .052(2) .0334(19) -.0169(17) .0134(16) -.0036(16)
C9a .037(2) .054(2) .042(2) -.0147(17) .0136(18) -.0003(18)
C10 .043(2) .045(2) .038(2) -.0157(17) .0136(16) -.0009(16)
C11 .047(2) .072(3) .038(2) -.0183(19) .0153(17) -.0078(18)
C12 .062(3) .059(3) .072(3) -.020(2) .036(2) -.010(2)
C13 .096(4) .048(3) .159(5) -.009(3) .056(3) .013(3)
O1' .0439(15) .0533(15) .0410(13) -.0074(12) .0126(11) -.0038(11)
O2' .0474(16) .0666(18) .0666(18) -.0059(14) .0021(14) -.0057(15)
C1X .042(2) .064(3) .069(3) -.020(2) .021(2) -.007(2)
C2X .056(3) .050(2) .094(3) -.014(2) .021(2) .003(2)
C3X .061(3) .065(3) .082(3) -.019(2) .012(2) .024(2)
C4X .055(3) .069(3) .057(2) -.019(2) .016(2) .012(2)
C4aX .040(2) .057(2) .040(2) -.0184(18) .0081(17) .0035(18)
C4bX .035(2) .063(2) .038(2) -.0187(19) .0082(17) -.0023(18)
C5X .049(2) .075(3) .054(2) -.020(2) .021(2) .006(2)
C6X .050(3) .078(3) .075(3) -.016(2) .027(2) -.009(2)
C7X .042(2) .060(3) .086(3) -.008(2) .018(2) .001(2)
C8X .043(2) .060(3) .067(3) -.013(2) .012(2) .012(2)
C8aX .035(2) .055(2) .041(2) -.0147(18) .0056(17) .0048(18)
C9X .038(2) .057(2) .0331(19) -.0185(17) .0092(16) .0022(16)
C9aX .035(2) .052(2) .041(2) -.0149(18) .0092(17) -.0016(17)
C10' .045(2) .044(2) .040(2) -.0031(17) .0148(17) .0019(17)
C11' .057(2) .052(2) .036(2) -.0080(19) .0116(18) .0023(17)
C12' .045(2) .052(2) .056(2) -.005(2) .018(2) .006(2)
C13' .059(3) .070(3) .068(3) -.008(2) .029(2) -.011(2)
C1Y .055(3) .056(3) .059(3) -.008(2) -.002(2) .002(2)
C2Y .066(3) .067(3) .070(3) -.015(2) .001(2) -.004(2)
C3Y .060(3) .050(3) .108(4) -.013(2) .008(3) .006(3)
C4Y .060(3) .067(3) .089(4) -.020(2) .010(2) .021(3)
C4aY .042(2) .054(3) .067(3) -.0114(19) .014(2) .012(2)
C4bY .050(2) .077(3) .057(3) -.016(2) .023(2) .019(2)
C5Y .065(3) .093(3) .074(3) -.016(3) .029(3) .030(3)
C6Y .087(4) .134(5) .061(3) -.014(3) .030(3) .042(3)
C7Y .104(4) .117(4) .047(3) -.025(3) .033(3) .011(3)
C8Y .086(3) .087(3) .054(3) -.018(3) .036(2) .010(2)
C8aY .050(2) .070(3) .047(2) -.016(2) .0191(19) .008(2)
C9Y .041(2) .055(2) .042(2) -.0073(18) .0093(17) .0056(18)
C9aY .044(2) .051(2) .051(2) -.0115(19) .0068(19) .005(2)
C1Z .046(2) .063(3) .086(3) -.006(2) .021(2) .018(2)
C2Z .057(3) .048(3) .116(4) .001(2) .029(3) .000(3)
C3Z .066(3) .073(3) .095(3) .000(3) .040(3) -.009(3)
C4Z .063(3) .070(3) .075(3) -.007(2) .037(2) .009(2)
C4aZ .043(2) .054(2) .047(2) -.0038(19) .0145(18) .0077(19)
C4bZ .049(2) .056(3) .053(2) -.013(2) .010(2) .0032(19)
C5Z .070(3) .064(3) .101(4) -.018(2) .036(3) .004(3)
C6Z .073(3) .067(3) .139(4) -.025(3) .034(3) .000(3)
C7Z .058(3) .066(3) .125(4) -.023(3) .019(3) -.024(3)
C8Z .049(3) .075(3) .071(3) -.013(2) .011(2) -.016(2)
C8aZ .044(2) .061(2) .042(2) -.0106(19) .0111(18) -.0025(19)
C9Z .041(2) .063(2) .034(2) -.0076(19) .0104(17) .0065(17)
C9aZ .041(2) .050(2) .045(2) -.0017(18) .0090(17) .0113(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C12 . 1.350(4) no
O1' C12' . 1.349(4) no
O1 C10 . 1.488(4) no
O1' C10' . 1.484(3) no
O2 C12 . 1.194(4) no
O2' C12' . 1.202(4) no
C1 C2 . 1.379(4) no
C1X C2X . 1.396(5) no
C1Y C2Y . 1.390(5) no
C1Z C2Z . 1.392(5) no
C2 C3 . 1.378(5) no
C2Y C3Y . 1.385(5) no
C2X C3X . 1.386(5) yes
C2Z C3Z . 1.372(5) yes
C3 C4 . 1.381(5) no
C3X C4X . 1.379(5) no
C3Y C4Y . 1.377(5) no
C3Z C4Z . 1.369(5) no
C4 C4a . 1.389(4) no
C4X C4aX . 1.381(4) no
C4Y C4aY . 1.389(5) no
C4Z C4aZ . 1.384(4) no
C4a C4b . 1.461(4) no
C4aX C4bX . 1.457(4) no
C4aY C4bY . 1.461(5) no
C4aZ C4bZ . 1.457(4) no
C4b C5 . 1.389(4) no
C4bX C5X . 1.389(4) no
C4bY C5Y . 1.389(5) no
C4bZ C5Z . 1.396(5) no
C5 C6 . 1.368(5) no
C5X C6X . 1.372(5) no
C5Y C6Y . 1.378(5) no
C5Z C6Z . 1.372(5) no
C6 C7 . 1.376(5) no
C6X C7X . 1.376(5) no
C6Y C7Y . 1.375(6) no
C6Z C7Z . 1.370(6) no
C7 C8 . 1.395(4) no
C7X C8X . 1.390(5) no
C7Y C8Y . 1.392(5) no
C7Z C8Z . 1.386(5) no
C8 C8a . 1.384(4) no
C8X C8aX . 1.378(4) yes
C8Z C8aZ . 1.391(5) yes
C8Y C8aY . 1.388(5) no
C8a C9 . 1.527(4) no
C8aX C9X . 1.526(4) no
C8aY C9Y . 1.526(4) no
C8aZ C9Z . 1.524(4) no
C9 C9a . 1.528(4) no
C9X C9aX . 1.531(4) no
C9Y C9aY . 1.523(4) no
C9Z C9aZ . 1.531(4) no
C9a C1 . 1.385(4) no
C9aX C1X . 1.378(4) no
C9aY C1Y . 1.377(4) no
C9aZ C1Z . 1.381(5) no
C4a C9a . 1.397(4) no
C4aX C9aX . 1.398(4) no
C4aY C9aY . 1.404(4) no
C4aZ C9aZ . 1.397(4) no
C4b C8a . 1.396(4) no
C4bX C8aX . 1.397(4) no
C4bY C8aY . 1.386(5) no
C4bZ C8aZ . 1.394(4) no
C9 C10 . 1.546(4) no
C9Y C10' . 1.557(4) no
C9X C10 . 1.556(4) no
C9Z C10' . 1.561(4) no
C10 C11 . 1.515(4) no
C10' C11' . 1.516(4) no
C12' C13' . 1.483(4) no
C12 C13 . 1.492(5) no
C11' H11a . .9600 no
C11' H11b . .9600 no
C11' H11c . .9600 no
C11 H11d . .9600 no
C11 H11e . .9600 no
C11 H11f . .9600 no
C13' H13a . .9600 no
C13' H13b . .9600 no
C13' H13c . .9600 no
C13 H13d . .9600 no
C13 H13e . .9600 no
C13 H13f . .9600 no
C8Z H8Z . .9300 no
C1X H1X . .9300 no
C1 H1 . .9300 no
C7Z H7Z . .9300 no
C6Z H6Z . .9300 no
C6Y H6Y . .9300 no
C3 H3 . .9300 no
C3X H3X . .9300 no
C5Z H5Z . .9300 no
C4Z H4Z . .9300 no
C4 H4 . .9300 no
C4X H4X . .9300 no
C2X H2X . .9300 no
C2 H2 . .9300 no
C8Y H8Y . .9300 no
C7Y H7Y . .9300 no
C5Y H5Y . .9300 no
C5 H5 . .9300 no
C5X H5X . .9300 no
C4Y H4Y . .9300 no
C6 H6 . .9300 no
C3Z H3Z . .9300 no
C7 H7 . .9300 no
C8X H8X . .9300 no
C1Y H1Y . .9300 no
C8 H8 . .9300 no
C1Z H1Z . .9300 no
C2Z H2Z . .9300 no
C2Y H2Y . .9300 no
C6X H6X . .9300 no
C9Y H9Y . .9800 no
C9 H9 . .9800 no
C9X H9X . .9800 no
C9Z H9Z . .9800 no
C7X H7X . .9300 no
C3Y H3Y . .9300 no