#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011357.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_2011357
loop_
_publ_author_name
'Meyers, Cal Y.'
'Lutfi, Hisham G.'
'Robinson, Paul D.'
_publ_section_title
;
sp-9-Acetylfluorene, the initial acetylation product of 9-fluorenyllithium
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              e418
_journal_page_last               e419
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C15 H12 O'
_chemical_formula_sum            'C15 H12 O'
_chemical_formula_weight         208.25
_chemical_melting_point          347.5(5)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.19(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.253(4)
_cell_length_b                   5.740(6)
_cell_length_c                   17.782(6)
_cell_measurement_temperature    296
_cell_volume                     1136.9(13)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.217
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '347-348' was changed to '347.5(5)' -
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               2011357
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 -.0753(2) .5733(4) .41839(14) .0854(8) Uani d . 1 . . O
C1 .2326(2) .2426(5) .43818(16) .0592(7) Uani d . 1 . . C
C2 .3244(2) .0839(6) .45510(18) .0666(9) Uani d . 1 . . C
C3 .3341(2) -.1050(6) .40848(19) .0707(9) Uani d . 1 . . C
C4 .2529(2) -.1404(5) .34437(18) .0616(8) Uani d . 1 . . C
C4a .1596(2) .0179(5) .32713(15) .0484(7) Uani d . 1 . . C
C4b .0617(2) .0272(5) .26332(15) .0516(7) Uani d . 1 . . C
C5 .0321(3) -.1187(6) .20109(17) .0695(9) Uani d . 1 . . C
C6 -.0669(3) -.0666(7) .14903(19) .0833(11) Uani d . 1 . . C
C7 -.1356(3) .1277(7) .1581(2) .0848(11) Uani d . 1 . . C
C8 -.1075(3) .2762(6) .21952(18) .0714(9) Uani d . 1 . . C
C8a -.0075(2) .2243(5) .27152(15) .0520(7) Uani d . 1 . . C
C9 .0418(2) .3560(5) .34278(15) .0529(7) Uani d . 1 . . C
C9a .1500(2) .2089(4) .37388(15) .0471(7) Uani d . 1 . . C
C10 -.0491(2) .3829(5) .39785(16) .0549(7) Uani d . 1 . . C
C11 -.1065(3) .1687(5) .4228(2) .0787(10) Uani d . 1 . . C
H1 .2263 .3703 .4696 .071 Uiso calc R 1 . . H
H2 .3804 .1045 .4984 .080 Uiso calc R 1 . . H
H3 .3968 -.2101 .4207 .085 Uiso calc R 1 . . H
H4 .2601 -.2679 .3131 .074 Uiso calc R 1 . . H
H5 .0785 -.2495 .1947 .083 Uiso calc R 1 . . H
H6 -.0876 -.1634 .1073 .100 Uiso calc R 1 . . H
H7 -.2022 .1596 .1223 .102 Uiso calc R 1 . . H
H8 -.1543 .4065 .2256 .086 Uiso calc R 1 . . H
H9 .0690 .5104 .3289 .063 Uiso calc R 1 . . H
H11a -.1145 .1819 .4757 .118 Uiso calc R 1 . . H
H11b -.0576 .0360 .4154 .118 Uiso calc R 1 . . H
H11c -.1844 .1499 .3936 .118 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 .0847(16) .0616(15) .111(2) .0168(12) .0192(13) -.0204(13)
C1 .0522(15) .0620(18) .0636(18) -.0020(14) .0089(14) -.0074(16)
C2 .0440(15) .084(2) .069(2) .0035(16) .0007(14) .0016(19)
C3 .0448(16) .077(2) .092(2) .0120(16) .0142(17) .007(2)
C4 .0510(15) .0536(17) .085(2) .0035(15) .0253(15) -.0064(17)
C4a .0401(13) .0483(15) .0591(15) -.0063(12) .0157(12) -.0017(14)
C4b .0483(15) .0531(16) .0555(17) -.0133(13) .0148(13) -.0047(14)
C5 .0676(19) .075(2) .068(2) -.0221(17) .0188(16) -.0143(18)
C6 .080(2) .105(3) .064(2) -.035(2) .0062(19) -.013(2)
C7 .061(2) .119(3) .069(2) -.025(2) -.0055(17) .013(2)
C8 .0575(18) .081(2) .073(2) -.0030(17) .0011(16) .0119(19)
C8a .0464(14) .0549(17) .0545(16) -.0099(13) .0063(13) .0052(14)
C9 .0494(15) .0388(14) .0703(18) .0005(12) .0080(13) .0036(14)
C9a .0398(14) .0455(15) .0569(16) -.0016(11) .0096(12) .0016(13)
C10 .0454(14) .0515(17) .0647(18) .0086(14) -.0022(13) -.0056(15)
C11 .068(2) .073(2) .101(3) .0048(18) .0351(18) .008(2)
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 C10 . 1.202(3) no
C1 C2 . 1.378(4) no
C1 C9a . 1.381(4) no
C2 C3 . 1.379(4) no
C3 C4 . 1.371(4) no
C4 C4a . 1.389(4) no
C4a C9a . 1.389(4) no
C4a C4b . 1.466(4) no
C4b C5 . 1.390(4) no
C4b C8a . 1.393(4) no
C5 C6 . 1.376(4) no
C6 C7 . 1.380(5) no
C7 C8 . 1.386(4) no
C8 C8a . 1.383(4) no
C8a C9 . 1.512(4) no
C9 C9a . 1.519(3) no
C9 C10 . 1.521(4) no
C10 C11 . 1.486(4) no
C1 H1 . .9300 no
C2 H2 . .9300 no
C3 H3 . .9300 no
C4 H4 . .9300 no
C5 H5 . .9300 no
C6 H6 . .9300 no
C7 H7 . .9300 no
C8 H8 . .9300 no
C9 H9 . .9800 no
C11 H11a . .9600 no
C11 H11b . .9600 no
C11 H11c . .9600 no