data_2200931
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2002
_journal_volume  58
_journal_page_first  o162
_journal_page_last  o164
_publ_section_title
;
2,2,7-Triphenyl-1H-naphth[2,1-c]azepine-1,5-dione
;
loop_
_publ_author_name
  'Bao Guo Zhao'
  'Anwar Usman'
  'Ibrahim Abdul Razak'
  'Hoong-Kun Fun'
  'Suchada Chantrapromma'
  'Jian-Hua Xu'
_chemical_formula_moiety  'C33 H25 N O2'
_chemical_formula_sum  'C33 H25 N O2'
_chemical_formula_iupac  'C33 H25 N O2'
_chemical_formula_weight  467.54
_chemical_melting_point  538K
_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  7.27880(10)
_cell_length_b  12.28560(10)
_cell_length_c  27.1499(3)
_cell_angle_alpha  90.00
_cell_angle_beta  94.3130(10)
_cell_angle_gamma  90.00
_cell_volume  2421.00(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  183(2)
_exptl_crystal_density_diffrn  1.283
_diffrn_ambient_temperature  183(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  .77728(17)  .56333(9)  .24768(4)  .0262(3) Uani d . 1 . . O
  O2  .44129(16)  .45085(9)  .38252(4)  .0225(3) Uani d . 1 . . O
  N1  .74991(18)  .38886(10)  .27316(5)  .0164(3) Uani d . 1 . . N
  C1  .7870(2)  .49561(12)  .28146(6)  .0165(3) Uani d . 1 . . C
  C2  .8425(2)  .53130(12)  .33351(5)  .0156(3) Uani d . 1 . . C
  C3  .7518(2)  .49894(12)  .37420(6)  .0150(3) Uani d . 1 . . C
  C4  .5889(2)  .42262(12)  .36832(5)  .0156(3) Uani d . 1 . . C
  C5  .6115(2)  .30785(12)  .34594(6)  .0145(3) Uani d . 1 . . C
  C6  .7745(2)  .30771(12)  .31269(6)  .0162(3) Uani d . 1 . . C
  H6A  .8876  .3230  .3327  .019 Uiso calc R 1 . . H
  H6B  .7858  .2361  .2982  .019 Uiso calc R 1 . . H
  C7  .6962(2)  .35425(14)  .22257(6)  .0234(4) Uani d . 1 . . C
  H7A  .6800  .2767  .2218  .035 Uiso calc R 1 . . H
  H7B  .7908  .3743  .2015  .035 Uiso calc R 1 . . H
  H7C  .5827  .3891  .2113  .035 Uiso calc R 1 . . H
  C8  .9813(2)  .61269(12)  .33858(6)  .0177(3) Uani d . 1 . . C
  H8 1.0421  .6329  .3111  .021 Uiso calc R 1 . . H
  C9 1.0279(2)  .66231(12)  .38311(6)  .0174(3) Uani d . 1 . . C
  C10  .9356(2)  .63148(12)  .42580(6)  .0176(3) Uani d . 1 . . C
  C11  .9797(2)  .68064(14)  .47262(6)  .0241(4) Uani d . 1 . . C
  H11 1.0670  .7360  .4755  .029 Uiso calc R 1 . . H
  C12  .8953(3)  .64749(15)  .51344(6)  .0282(4) Uani d . 1 . . C
  H12  .9241  .6813  .5437  .034 Uiso calc R 1 . . H
  C13  .7651(2)  .56261(15)  .50992(6)  .0268(4) Uani d . 1 . . C
  H13  .7117  .5388  .5381  .032 Uiso calc R 1 . . H
  C14  .7168(2)  .51489(14)  .46526(6)  .0214(4) Uani d . 1 . . C
  H14  .6289  .4598  .4634  .026 Uiso calc R 1 . . H
  C15  .7986(2)  .54790(12)  .42164(6)  .0164(3) Uani d . 1 . . C
  C16 1.1740(2)  .74864(12)  .38631(6)  .0183(3) Uani d . 1 . . C
  C17 1.1274(2)  .85871(13)  .38633(6)  .0227(4) Uani d . 1 . . C
  H17 1.0042  .8792  .3854  .027 Uiso calc R 1 . . H
  C18 1.2639(3)  .93825(14)  .38766(7)  .0281(4) Uani d . 1 . . C
  H18 1.2312 1.0114  .3872  .034 Uiso calc R 1 . . H
  C19 1.4469(3)  .90924(15)  .38963(6)  .0285(4) Uani d . 1 . . C
  H19 1.5377  .9626  .3906  .034 Uiso calc R 1 . . H
  C20 1.4951(3)  .80008(16)  .39017(7)  .0319(4) Uani d . 1 . . C
  H20 1.6188  .7803  .3917  .038 Uiso calc R 1 . . H
  C21 1.3595(2)  .71988(14)  .38837(7)  .0277(4) Uani d . 1 . . C
  H21 1.3930  .6468  .3885  .033 Uiso calc R 1 . . H
  C22  .6510(2)  .23185(12)  .39111(6)  .0179(3) Uani d . 1 . . C
  C23  .8084(3)  .16773(13)  .39762(7)  .0253(4) Uani d . 1 . . C
  H23  .8950  .1694  .3741  .030 Uiso calc R 1 . . H
  C24  .8378(3)  .10055(15)  .43931(7)  .0341(5) Uani d . 1 . . C
  H24  .9435  .0580  .4433  .041 Uiso calc R 1 . . H
  C25  .7095(3)  .09754(15)  .47449(7)  .0370(5) Uani d . 1 . . C
  H25  .7292  .0533  .5022  .044 Uiso calc R 1 . . H
  C26  .5533(3)  .16014(15)  .46833(7)  .0359(5) Uani d . 1 . . C
  H26  .4673  .1582  .4920  .043 Uiso calc R 1 . . H
  C27  .5227(3)  .22652(14)  .42700(6)  .0267(4) Uani d . 1 . . C
  H27  .4156  .2679  .4231  .032 Uiso calc R 1 . . H
  C28  .4359(2)  .27415(12)  .31476(6)  .0164(3) Uani d . 1 . . C
  C29  .3854(2)  .16501(13)  .31051(6)  .0224(4) Uani d . 1 . . C
  H29  .4534  .1130  .3289  .027 Uiso calc R 1 . . H
  C30  .2353(3)  .13236(15)  .27935(7)  .0293(4) Uani d . 1 . . C
  H30  .2014  .0594  .2780  .035 Uiso calc R 1 . . H
  C31  .1358(2)  .20791(16)  .25030(7)  .0288(4) Uani d . 1 . . C
  H31  .0370  .1858  .2289  .035 Uiso calc R 1 . . H
  C32  .1853(2)  .31693(15)  .25354(7)  .0280(4) Uani d . 1 . . C
  H32  .1209  .3681  .2338  .034 Uiso calc R 1 . . H
  C33  .3306(2)  .34995(14)  .28617(6)  .0230(4) Uani d . 1 . . C
  H33  .3586  .4236  .2891  .028 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  .0393(8)  .0209(6)  .0184(6)  -.0045(5)  .0021(5)  .0061(5)
  O2  .0218(6)  .0177(6)  .0292(7)  -.0015(5)  .0102(5)  -.0054(5)
  N1  .0227(7)  .0145(6)  .0124(6)  -.0029(5)  .0036(5)  .0001(5)
  C1  .0178(8)  .0159(7)  .0162(8)  -.0017(6)  .0050(6)  .0012(6)
  C2  .0188(8)  .0117(7)  .0167(8)  -.0011(6)  .0033(6)  -.0008(6)
  C3  .0178(8)  .0108(7)  .0167(8)  -.0008(6)  .0037(6)  -.0008(5)
  C4  .0203(8)  .0126(7)  .0144(8)  -.0007(6)  .0049(6)  .0004(6)
  C5  .0182(8)  .0106(7)  .0151(7)  -.0016(6)  .0039(6)  -.0001(5)
  C6  .0208(8)  .0119(7)  .0164(8)  -.0004(6)  .0048(6)  -.0009(6)
  C7  .0304(10)  .0248(9)  .0153(8)  -.0052(7)  .0033(7)  -.0047(6)
  C8  .0211(8)  .0145(7)  .0182(8)  -.0024(6)  .0053(6)  .0017(6)
  C9  .0181(8)  .0132(7)  .0209(8)  -.0013(6)  .0015(6)  -.0005(6)
  C10  .0182(8)  .0158(8)  .0188(8)  -.0008(6)  .0017(6)  -.0030(6)
  C11  .0251(9)  .0253(9)  .0219(9)  -.0049(7)  .0016(7)  -.0071(7)
  C12  .0314(10)  .0348(10)  .0187(9)  -.0037(8)  .0029(7)  -.0100(7)
  C13  .0275(10)  .0361(10)  .0177(9)  -.0015(8)  .0084(7)  -.0032(7)
  C14  .0223(9)  .0231(8)  .0197(8)  -.0035(7)  .0074(7)  -.0014(6)
  C15  .0177(8)  .0149(7)  .0169(8)  .0008(6)  .0034(6)  -.0017(6)
  C16  .0231(8)  .0152(8)  .0166(8)  -.0049(6)  .0017(6)  -.0009(6)
  C17  .0251(9)  .0178(8)  .0255(9)  -.0020(7)  .0042(7)  -.0010(6)
  C18  .0384(11)  .0165(8)  .0297(10)  -.0067(7)  .0056(8)  .0009(7)
  C19  .0353(10)  .0246(9)  .0257(10)  -.0161(8)  .0022(8)  .0012(7)
  C20  .0227(9)  .0316(10)  .0410(12)  -.0058(8)  .0004(8)  .0030(8)
  C21  .0252(10)  .0185(8)  .0396(11)  -.0012(7)  .0030(8)  .0014(7)
  C22  .0252(9)  .0128(7)  .0157(8)  -.0059(6)  .0010(6)  -.0007(6)
  C23  .0299(10)  .0203(8)  .0250(9)  -.0031(7)  -.0026(7)  .0031(7)
  C24  .0412(12)  .0262(10)  .0326(11)  -.0016(8)  -.0115(9)  .0068(8)
  C25  .0632(14)  .0261(10)  .0199(10)  -.0131(10)  -.0087(9)  .0073(7)
  C26  .0617(14)  .0281(10)  .0193(10)  -.0115(10)  .0115(9)  .0020(7)
  C27  .0390(11)  .0212(9)  .0209(9)  -.0045(7)  .0105(8)  .0004(7)
  C28  .0191(8)  .0163(8)  .0146(8)  -.0030(6)  .0064(6)  -.0006(6)
  C29  .0292(10)  .0158(8)  .0225(9)  -.0015(7)  .0040(7)  -.0024(6)
  C30  .0311(10)  .0237(9)  .0331(10)  -.0100(7)  .0038(8)  -.0104(7)
  C31  .0207(9)  .0414(11)  .0243(10)  -.0065(8)  .0019(7)  -.0092(8)
  C32  .0206(9)  .0363(10)  .0269(10)  -.0004(8)  .0008(7)  .0052(8)
  C33  .0205(9)  .0208(8)  .0277(9)  -.0027(7)  .0023(7)  .0027(7)
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 C1 . 1.236(2) ?
  O2 C4 . 1.219(2) ?
  N1 C1 . 1.354(2) yes
  N1 C7 . 1.463(2) ?
  N1 C6 . 1.466(2) yes
  C1 C2 . 1.505(2) yes
  C2 C3 . 1.387(2) yes
  C2 C8 . 1.421(2) ?
  C3 C15 . 1.439(2) ?
  C3 C4 . 1.510(2) yes
  C4 C5 . 1.549(2) yes
  C5 C28 . 1.535(2) ?
  C5 C6 . 1.544(2) yes
  C5 C22 . 1.551(2) ?
  C6 H6A .  .9700 ?
  C6 H6B .  .9700 ?
  C7 H7A .  .9600 ?
  C7 H7B .  .9600 ?
  C7 H7C .  .9600 ?
  C8 C9 . 1.374(2) ?
  C8 H8 .  .9300 ?
  C9 C10 . 1.434(2) ?
  C9 C16 . 1.500(2) ?
  C10 C11 . 1.422(2) ?
  C10 C15 . 1.430(2) ?
  C11 C12 . 1.369(2) ?
  C11 H11 .  .9300 ?
  C12 C13 . 1.407(2) ?
  C12 H12 .  .9300 ?
  C13 C14 . 1.369(2) ?
  C13 H13 .  .9300 ?
  C14 C15 . 1.424(2) ?
  C14 H14 .  .9300 ?
  C16 C21 . 1.392(2) ?
  C16 C17 . 1.394(2) ?
  C17 C18 . 1.392(2) ?
  C17 H17 .  .9300 ?
  C18 C19 . 1.376(3) ?
  C18 H18 .  .9300 ?
  C19 C20 . 1.386(3) ?
  C19 H19 .  .9300 ?
  C20 C21 . 1.393(2) ?
  C20 H20 .  .9300 ?
  C21 H21 .  .9300 ?
  C22 C23 . 1.391(2) ?
  C22 C27 . 1.401(2) ?
  C23 C24 . 1.404(2) ?
  C23 H23 .  .9300 ?
  C24 C25 . 1.385(3) ?
  C24 H24 .  .9300 ?
  C25 C26 . 1.372(3) ?
  C25 H25 .  .9300 ?
  C26 C27 . 1.391(3) ?
  C26 H26 .  .9300 ?
  C27 H27 .  .9300 ?
  C28 C29 . 1.393(2) ?
  C28 C33 . 1.403(2) ?
  C29 C30 . 1.390(2) ?
  C29 H29 .  .9300 ?
  C30 C31 . 1.386(3) ?
  C30 H30 .  .9300 ?
  C31 C32 . 1.388(3) ?
  C31 H31 .  .9300 ?
  C32 C33 . 1.388(2) ?
  C32 H32 .  .9300 ?
  C33 H33 .  .9300 ?