data_2000406
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2257
_journal_page_last  2258
loop_
_publ_author_name
 'Yeap, G.-Y.'
 'Fun, H.-K.'
 'Teoh, S.-G.'
 'Teo, S.-B.'
 'Chinnakali, K.'
 'Yip, B.-C.'
_chemical_formula_sum  'C14 H13 N1 O2'
_chemical_formula_weight  227.3
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_cell_length_a  22.521(6)
_cell_length_b  10.809(3)
_cell_length_c  9.509(2)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  90.0
_cell_volume  2314.9(10)
_cell_formula_units_Z  8
_cell_measurement_reflns_used  25
_cell_measurement_theta_min  7.5
_cell_measurement_theta_max  17.5
_cell_measurement_temperature  298
_exptl_crystal_description  'Needle'
_exptl_crystal_colour  'Yellow'
_exptl_crystal_size_max  2
_exptl_crystal_size_mid  0.2
_exptl_crystal_size_min  0.1
_exptl_crystal_size_rad  ?
_exptl_crystal_density_diffrn  1.304
_exptl_crystal_density_meas  1.310
_exptl_absorpt_coefficient_mu  0.088
_exptl_absorpt_correction_type  'none'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_diffrn_radiation_type  'MoK\a'
_diffrn_radiation_wavelength  0.71069
_diffrn_measurement_device  'Siemens P4'
_diffrn_measurement_method  '2\q/\q'
_diffrn_reflns_number  2681
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_theta_max  55.0
_diffrn_reflns_limit_h_min  0
_diffrn_reflns_limit_h_max  29
_diffrn_reflns_limit_k_min  0
_diffrn_reflns_limit_k_max  14
_diffrn_reflns_limit_l_min  0
_diffrn_reflns_limit_l_max  12
_diffrn_standards_number  2
_diffrn_standards_interval_count  100
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%  0
_reflns_number_total  2681
_reflns_number_observed  1171
_reflns_observed_criterion  F>4.0\s(F)
_refine_ls_structure_factor_coef  F
_refine_ls_R_factor_obs  0.0454
_refine_ls_wR_factor_obs  0.0493
_refine_ls_goodness_of_fit_obs  1.00
_refine_ls_number_reflns  1171
_refine_ls_number_parameters  206
_refine_ls_hydrogen_treatment  'refall'
_refine_ls_weighting_scheme  '1.0/[\s^2^(F)+0.001F^2^]'
_refine_ls_shift/esd_max  0.001
_refine_diff_density_max  0.20
_refine_diff_density_min  -0.20
_refine_ls_extinction_method  ?
_refine_ls_extinction_coef  ?
_atom_type_scat_source  ?
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 N .33050(10)
      .5219(2) .1597(3) .0380(10)
 O(1) .13660(10)
      .7434(2) -.2745(3) .0510(10)
 O(2) .46610(10)
      .1609(2) .4301(3) .0680(10)
 C(1) .24420(10)
      .5609(3) .0125(3) .0340(10)
 C(2) .26310(10)
      .6721(3) -.0480(3) .0360(10)
 C(3) .22810(10)
      .7347(3) -.1422(3) .0370(10)
 C(4) .17250(10)
      .6878(3) -.1795(3) .0360(10)
 C(5) .15290(10)
      .5778(3) -.1191(4) .0430(10)
 C(6) .18790(10)
      .5160(3) -.0253(4) .0420(10)
 C(7) .28180(10)
      .4861(3) .1026(3) .0390(10)
 C(8) .36670(10)
      .4318(3) .2274(3) .0380(10)
 C(9) .40000(10)
      .4636(3) .3431(3) .0460(10)
 C(10) .4339(2) .3765(3) .4152(4) .0530(10)
 C(11) .43540(10)
       .2559(3) .3665(4) .0490(10)
 C(12) .4052(2) .2243(3) .2462(4) .0490(10)
 C(13) .37100(10)
       .3106(3) .1762(4) .0430(10)
 C(14) .4953(3) .1857(7) .5594(5) .081(2)
 H(1) .1497(19) .818(4)   -.306(4)   ?
 H(2) .3014(14) .701(3)   -.021(3)   ?
 H(3) .2422(12) .806(3)   -.184(3)   ?
 H(5) .1151(13) .548(3)   -.146(3)   ?
 H(6) .1751(14) .440(3)   .019(3)   ?
 H(7) .2673(12) .402(3)   .120(3)   ?
 H(9) .3980(14) .547(3)   .381(3)   ?
 H(10) .4566(13) .400(3)   .498(3)   ?
 H(12) .4084(14) .146(3)   .204(3)   ?
 H(13) .3528(12) .292(3)   .085(3)   ?
 H(14A) .508(2)   .110(4)   .587(5)   ?
 H(14B) .466(2)   .229(4)   .631(5)   ?
 H(14C) .526(2)   .244(4)   .539(5)   ?