data_2011488 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first 1380 _journal_page_last 1382 _publ_section_title ; Unexpected dipivaloylation of 9-lithiated fluorene. Formation of 1-(fluoren-9-ylidene)-2',2'-dimethylpropyl pivalate ; loop_ _publ_author_name 'Robinson, Paul D.' 'Lutfi, Hisham G.' 'Hou, Yuqing' 'Meyers, Cal Y.' _chemical_formula_moiety 'C23 H26 O2' _chemical_formula_sum 'C23 H26 O2' _chemical_formula_weight 334.44 _chemical_melting_point '404-405' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' 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' _cell_length_a 11.1247(15) _cell_length_b 10.4604(10) _cell_length_c 16.6259(14) _cell_angle_alpha 90.00 _cell_angle_beta 93.951(9) _cell_angle_gamma 90.00 _cell_volume 1930.1(4) _cell_formula_units_Z 4 _cell_measurement_temperature 296 _exptl_crystal_density_diffrn 1.151 _diffrn_ambient_temperature 296 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 -.07492(13) -.97025(15) -.23828(8) .0542(4) Uani d . 1 . . O O2 .07343(17) -1.11034(18) -.25097(13) .0863(6) Uani d . 1 . . O C1 -.2022(2) -1.0212(2) -.39161(15) .0614(7) Uani d . 1 . . C C2 -.2759(2) -1.0701(3) -.45469(17) .0702(7) Uani d . 1 . . C C3 -.2670(2) -1.0289(3) -.53221(16) .0723(7) Uani d . 1 . . C C4 -.1846(2) -.9361(3) -.54869(15) .0653(7) Uani d . 1 . . C C4a -.11190(19) -.8851(2) -.48594(13) .0506(6) Uani d . 1 . . C C4b -.0220(2) -.7845(2) -.48720(14) .0532(6) Uani d . 1 . . C C5 .0122(2) -.7134(3) -.55244(16) .0714(7) Uani d . 1 . . C C6 .0997(3) -.6225(3) -.54009(18) .0825(9) Uani d . 1 . . C C7 .1534(3) -.6026(3) -.46414(19) .0839(9) Uani d . 1 . . C C8 .1208(2) -.6735(3) -.39891(17) .0725(7) Uani d . 1 . . C C8a .0296(2) -.7640(2) -.40863(14) .0539(6) Uani d . 1 . . C C9 -.02719(19) -.8556(2) -.35357(13) .0493(6) Uani d . 1 . . C C9a -.11783(19) -.9285(2) -.40658(13) .0489(6) Uani d . 1 . . C C10 -.0060(2) -.8737(2) -.27363(14) .0531(6) Uani d . 1 . . C C11 -.0221(2) -1.0863(2) -.22611(14) .0604(7) Uani d . 1 . . C C12 -.0955(2) -1.1787(3) -.17876(16) .0688(7) Uani d . 1 . . C C13 -.1308(5) -1.2902(3) -.2346(2) .1435(18) Uani d . 1 . . C C14 -.2080(3) -1.1203(3) -.1491(2) .1080(12) Uani d . 1 . . C C15 -.0162(4) -1.2248(4) -.1072(3) .1449(18) Uani d . 1 . . C C16 .0764(2) -.8021(3) -.21199(15) .0667(7) Uani d . 1 . . C C17 .0594(3) -.8474(3) -.12516(17) .0990(11) Uani d . 1 . . C C18 .2096(2) -.8281(3) -.22818(19) .0893(9) Uani d . 1 . . C C19 .0433(3) -.6589(3) -.21374(18) .0888(9) Uani d . 1 . . C H1 -.2094 -1.0505 -.3394 .074 Uiso calc R 1 . . H H2 -.3326 -1.1321 -.4442 .084 Uiso calc R 1 . . H H3 -.3168 -1.0637 -.5738 .087 Uiso calc R 1 . . H H4 -.1779 -.9081 -.6013 .078 Uiso calc R 1 . . H H5 -.0240 -.7276 -.6038 .086 Uiso calc R 1 . . H H6 .1230 -.5739 -.5832 .099 Uiso calc R 1 . . H H7 .2128 -.5404 -.4565 .101 Uiso calc R 1 . . H H8 .1600 -.6605 -.3483 .087 Uiso calc R 1 . . H H13a -.1818 -1.3480 -.2077 .215 Uiso calc R 1 . . H H13b -.0596 -1.3344 -.2486 .215 Uiso calc R 1 . . H H13c -.1733 -1.2584 -.2827 .215 Uiso calc R 1 . . H H14a -.2599 -1.0926 -.1943 .162 Uiso calc R 1 . . H H14b -.1867 -1.0482 -.1152 .162 Uiso calc R 1 . . H H14c -.2492 -1.1827 -.1187 .162 Uiso calc R 1 . . H H15a -.0602 -1.2846 -.0767 .217 Uiso calc R 1 . . H H15b .0080 -1.1533 -.0737 .217 Uiso calc R 1 . . H H15c .0540 -1.2658 -.1257 .217 Uiso calc R 1 . . H H17a -.0236 -.8384 -.1139 .148 Uiso calc R 1 . . H H17b .1087 -.7965 -.0878 .148 Uiso calc R 1 . . H H17c .0828 -.9355 -.1197 .148 Uiso calc R 1 . . H H18a .2304 -.9140 -.2125 .134 Uiso calc R 1 . . H H18b .2606 -.7692 -.1975 .134 Uiso calc R 1 . . H H18c .2203 -.8171 -.2846 .134 Uiso calc R 1 . . H H19a .0354 -.6297 -.2686 .133 Uiso calc R 1 . . H H19b .1056 -.6111 -.1844 .133 Uiso calc R 1 . . H H19c -.0316 -.6467 -.1894 .133 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 .0550(9) .0568(10) .0514(9) .0031(8) .0090(7) .0059(7) O2 .0751(12) .0803(13) .1077(15) .0211(11) .0376(11) .0208(11) C1 .0666(16) .0596(15) .0583(15) -.0078(13) .0059(12) .0020(12) C2 .0697(17) .0651(17) .0751(18) -.0168(13) .0007(14) -.0015(14) C3 .0712(17) .0804(19) .0637(17) -.0082(16) -.0079(13) -.0042(15) C4 .0685(16) .0742(17) .0521(14) .0015(15) -.0027(12) .0044(13) C4a .0506(13) .0511(13) .0503(14) .0083(11) .0043(10) .0002(11) C4b .0522(13) .0517(14) .0563(15) .0053(11) .0085(11) .0033(11) C5 .0798(18) .0733(18) .0617(16) -.0046(15) .0093(14) .0113(14) C6 .096(2) .0776(19) .076(2) -.0152(18) .0180(17) .0204(16) C7 .091(2) .0726(19) .090(2) -.0280(16) .0166(17) .0048(17) C8 .0834(18) .0679(17) .0663(17) -.0174(15) .0063(14) -.0017(14) C8a .0553(14) .0495(13) .0574(14) -.0016(11) .0080(11) -.0005(11) C9 .0511(13) .0482(13) .0487(13) .0018(11) .0045(10) -.0009(10) C9a .0490(13) .0455(13) .0522(13) .0025(10) .0043(10) -.0009(10) C10 .0500(13) .0543(14) .0552(14) -.0011(11) .0058(11) -.0009(11) C11 .0623(16) .0621(16) .0577(15) .0074(13) .0103(12) .0043(12) C12 .0775(18) .0687(17) .0619(16) .0042(14) .0175(13) .0131(14) C13 .237(5) .078(2) .125(3) -.052(3) .080(3) -.009(2) C14 .098(2) .102(2) .131(3) -.003(2) .057(2) .024(2) C15 .123(3) .181(4) .131(3) .012(3) .012(3) .094(3) C16 .0684(16) .0749(18) .0555(15) -.0093(14) -.0046(12) -.0033(13) C17 .118(3) .120(3) .0560(18) -.028(2) -.0086(16) -.0042(18) C18 .0679(18) .099(2) .099(2) -.0127(17) -.0129(16) .0041(18) C19 .107(2) .081(2) .078(2) -.0122(18) .0004(17) -.0214(16) 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 C11 . 1.358(3) no O1 C10 . 1.420(3) no O2 C11 . 1.194(3) no C1 C2 . 1.384(3) no C1 C9a . 1.384(3) no C2 C3 . 1.369(4) no C3 C4 . 1.375(4) no C4 C4a . 1.383(3) no C4a C9a . 1.401(3) no C4a C4b . 1.453(3) no C4b C5 . 1.389(3) no C4b C8a . 1.407(3) no C5 C6 . 1.366(4) no C6 C7 . 1.375(4) no C7 C8 . 1.383(4) no C8 C8a . 1.388(3) no C8a C9 . 1.495(3) no C9 C10 . 1.347(3) no C9 C9a . 1.501(3) no C10 C16 . 1.524(3) no C11 C12 . 1.519(3) no C12 C14 . 1.507(4) no C12 C15 . 1.511(4) no C12 C13 . 1.526(5) no C16 C19 . 1.542(4) no C16 C17 . 1.543(4) no C16 C18 . 1.548(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 C13 H13a . .9600 no C13 H13b . .9600 no C13 H13c . .9600 no C14 H14a . .9600 no C14 H14b . .9600 no C14 H14c . .9600 no C15 H15a . .9600 no C15 H15b . .9600 no C15 H15c . .9600 no C17 H17a . .9600 no C17 H17b . .9600 no C17 H17c . .9600 no C18 H18a . .9600 no C18 H18b . .9600 no C18 H18c . .9600 no C19 H19a . .9600 no C19 H19b . .9600 no C19 H19c . .9600 no