#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010157.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_2010157
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1728
_journal_page_last  1732
_publ_section_title
;
Formation and Identification of Rotameric 9-Pivaloylfluorene Oximes.
Structure of AP-(Z)-9-Pivaloylfluorene  Oxime
;
loop_
_publ_author_name
  'Robinson, Paul D.'
  'Lutfi, Hisham G.'
  'Lim, Louis W.'
  'Meyers, Cal Y.'
_chemical_formula_moiety  'C18 H19 N O'
_chemical_formula_sum  'C18 H19 N O'
_chemical_formula_weight  265.35
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,-z
_cell_length_a  10.275(6)
_cell_length_b  11.073(4)
_cell_length_c  8.292(3)
_cell_angle_alpha  71.94(3)
_cell_angle_beta  66.57(3)
_cell_angle_gamma  64.41(3)
_cell_volume  770.0(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.145
_diffrn_ambient_temperature  296
_refine_ls_R_factor_obs  0.040
_refine_ls_wR_factor_obs  0.046
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_refinement_flags
_atom_site_type_symbol
  O1 0.6257(2) 0.0405(2) 0.3163(2) 0.0520(10)
  Uani ? ? . O
  N1 0.4828(2) 0.1360(2) 0.3852(3) 0.0460(10)
  Uani ? ? . N
  C1 0.7615(4) 0.3094(3) 0.2332(4) 0.0770(10)
  Uani ? ? . C
  C2 0.9120(5) 0.2860(5) 0.2047(6) 0.107(2) Uani ? ? . C
  C3 1.0240(4) 0.2220(5) 0.0683(7) 0.109(2) Uani ? ? . C
  C4 0.9922(4) 0.1773(4) -0.0436(5) 0.0870(10)
  Uani ? ? . C
  C4a 0.8411(3) 0.2022(3) -0.0183(4) 0.0580(10)
  Uani ? ? . C
  C4b 0.7729(4) 0.1681(3) -0.1142(3) 0.0620(10)
  Uani ? ? . C
  C5 0.8383(5) 0.1057(4) -0.2634(5) 0.0950(10)
  Uani ? ? . C
  C6 0.7471(8) 0.0847(5) -0.3261(5) 0.127(2) Uani ? ? . C
  C7 0.5942(7) 0.1220(5) -0.2446(6) 0.121(2) Uani ? ? . C
  C8 0.5261(4) 0.1873(4) -0.0964(4) 0.0850(10)
  Uani ? ? . C
  C8a 0.6166(4) 0.2112(3) -0.0336(3) 0.0540(10)
  Uani ? ? . C
  C9 0.5738(3) 0.2867(2) 0.1146(3) 0.0470(10)
  Uani ? ? . C
  C9a 0.7275(3) 0.2670(3) 0.1199(3) 0.0500(10)
  Uani ? ? . C
  C10 0.4600(3) 0.2529(2) 0.2885(3) 0.0460(10)
  Uani ? ? . C
  C11 0.3085(3) 0.3631(3) 0.3547(4) 0.0710(10)
  Uani ? ? . C
  C12 0.2267(4) 0.4211(4) 0.2132(5) 0.1070(10)
  Uani ? ? . C
  C13 0.2076(4) 0.3069(4) 0.5287(5) 0.1220(10)
  Uani ? ? . C
  C14 0.3366(4) 0.4759(3) 0.3891(5) 0.1050(10)
  Uani ? ? . C
  H1 0.6836 0.3536 0.3284 0.092 Uiso calc C1 T H
  H2 0.9377 0.3148 0.2810 0.129 Uiso calc C2 T H
  H3 1.1263 0.2081 0.0505 0.131 Uiso calc C3 T H
  H4 1.0712 0.1305 -0.1360 0.105 Uiso calc C4 T H
  H5 0.9447 0.0782 -0.3206 0.115 Uiso calc C5 T H
  H6 0.7908 0.0431 -0.4290 0.152 Uiso calc C6 T H
  H7 0.5337 0.1034 -0.2889 0.144 Uiso calc C7 T H
  H8 0.4195 0.2145 -0.0403 0.102 Uiso calc C8 T H
  H9 0.5293 0.3804 0.0716 0.057 Uiso calc C9 T H
  H12a 0.2915 0.4502 0.1028 0.129 Uiso calc C12 T H
  H12b 0.1370 0.4961 0.2494 0.129 Uiso calc C12 T H
  H12c 0.2009 0.3529 0.1996 0.129 Uiso calc C12 T H
  H13a 0.2609 0.2643 0.6141 0.145 Uiso calc C13 T H
  H13b 0.1178 0.3792 0.5733 0.145 Uiso calc C13 T H
  H13c 0.1816 0.2423 0.5064 0.145 Uiso calc C13 T H
  H14a 0.3996 0.5111 0.2823 0.126 Uiso calc C14 T H
  H14b 0.3853 0.4404 0.4788 0.126 Uiso calc C14 T H
  H14c 0.2426 0.5464 0.4275 0.126 Uiso calc C14 T H
  H15 0.619(3) -0.032(3) 0.398(3) 0.062 Uiso ? ? T 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 0.0490(10)
  0.0370(10)
  0.0480(10)
  -0.0120(10)
  -0.0041(9) 0.0023(8)
  N1 0.0410(10)
  0.0390(10)
  0.0430(10)
  -0.0120(10)
  -0.0050(10)
  -0.0020(10)
  C1 0.080(2) 0.091(3) 0.071(2) -0.051(2) -0.012(2) -0.013(2)
  C2 0.103(3) 0.144(4) 0.112(3) -0.079(3) -0.036(3) -0.014(3)
  C3 0.070(3) 0.132(4) 0.130(4) -0.060(3) -0.024(3)  0.000(3)
  C4 0.063(2) 0.084(3) 0.086(3) -0.034(2) 0.003(2)  0.000(2)
  C4a 0.055(2) 0.053(2) 0.049(2) -0.025(2) 0.000(2) 0.0030(10)
  C4b 0.077(2) 0.053(2) 0.039(2) -0.026(2) -0.005(2)  0.0000(10)
  C5 0.119(3) 0.090(3) 0.054(2) -0.033(2) -0.002(2) -0.020(2)
  C6 0.196(6) 0.123(4) 0.063(3) -0.057(4) -0.029(3) -0.031(2)
  C7 0.185(5) 0.144(4) 0.078(3) -0.079(4) -0.061(3) -0.019(3)
  C8 0.106(3) 0.102(3) 0.064(2) -0.048(2) -0.039(2) -0.003(2)
  C8a 0.074(2) 0.053(2) 0.0360(10)
  -0.031(2) -0.0160(10)
  0.0040(10)
  C9 0.052(2) 0.0390(10)
  0.0400(10)
  -0.0190(10)
  -0.0080(10)
  0.0040(10)
  C9a 0.059(2) 0.046(2) 0.044(2) -0.0310(10)
  -0.0070(10)
  0.0010(10)
  C10 0.047(2) 0.038(2) 0.0450(10)
  -0.0180(10)
  -0.0100(10)
  0.0020(10)
  C11 0.057(2) 0.044(2) 0.069(2) -0.007(2) -0.001(2) 0.005(2)
  C12 0.063(2) 0.080(3) 0.131(3) -0.007(2) -0.030(2) 0.018(2)
  C13 0.064(2) 0.074(2) 0.113(3) 0.003(2) 0.034(2) 0.011(2)
  C14 0.119(3) 0.054(2) 0.092(3) -0.010(2) 0.002(2) -0.023(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O1 N1 . . 1.403(3) yes
  N1 C10 . . 1.272(3) yes
  C1 C2 . . 1.384(5) yes
  C1 C9a . . 1.380(4) yes
  C2 C3 . . 1.365(5) yes
  C3 C4 . . 1.370(5) yes
  C4 C4a . . 1.392(5) yes
  C4a C4b . . 1.457(4) yes
  C4a C9a . . 1.383(4) yes
  C4b C5 . . 1.388(4) yes
  C4b C8a . . 1.391(4) yes
  C5 C6 . . 1.362(6) yes
  C6 C7 . . 1.365(6) yes
  C7 C8 . . 1.397(5) yes
  C8 C8a . . 1.375(4) yes
  C8a C9 . . 1.514(4) yes
  C9 C9a . . 1.514(4) yes
  C9 C10 . . 1.513(3) yes
  C10 C11 . . 1.520(4) yes
  C11 C12 . . 1.532(5) yes
  C11 C13 . . 1.535(4) yes
  C11 C14 . . 1.524(5) yes
  O1 H15 . . 0.88(3) yes