#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/01/2000158.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000158
loop_
_publ_author_name
'Mori, Y.'
'Maeda, K.'
_publ_section_title
;
 2,4,4,6-Tetraphenyl-3(4H)-pyridinone
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2682
_journal_page_last               2683
_journal_paper_doi               10.1107/S0108270191007485
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C29 H21 N O'
_chemical_formula_weight         399.49
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.20(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.713(5)
_cell_length_b                   13.524(4)
_cell_length_c                   7.259(2)
_cell_volume                     2122.8(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.041
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_F_000             840
_cod_data_source_file            as0496.cif
_cod_data_source_block           as0496a
_cod_original_cell_volume        2123.0(11)
_cod_original_formula_sum        'C29 H21 N1 O1'
_cod_database_code               2000158
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N(1) .92160(10) .2897(2) .2946(4)
C(2) .9385(2) .2190(2) .1919(5)
C(3) .9216(2) .1136(2) .2326(5)
C(4) .85870(10) .1013(2) .3101(4)
C(5) .8518(2) .1851(2) .4446(5)
C(6) .8833(2) .2697(2) .4381(5)
O(7) .95610(10) .0455(2) .2110(4)
C(8) .9769(2) .2420(2) .0390(5)
C(9) .9997(2) .3372(3) .0215(6)
C(10) 1.0320(2) .3615(3) -.1262(7)
C(11) 1.0432(2) .2921(3) -.2569(7)
C(12) 1.0218(2) .1979(3) -.2414(6)
C(13) .9885(2) .1726(3) -.0948(5)
C(14) .81240(10) .1107(2) .1369(4)
C(15) .7702(2) .1883(3) .1141(5)
C(16) .7293(2) .1943(3) -.0434(6)
C(17) .7302(2) .1237(4) -.1790(6)
C(18) .7720(2) .0476(3) -.1605(6)
C(19) .8133(2) .0413(3) -.0047(5)
C(20) .85440(10) .0032(2) .4133(4)
C(21) .8063(2) -.0625(3) .3804(5)
C(22) .8037(2) -.1490(3) .4828(6)
C(23) .8491(2) -.1703(3) .6211(6)
C(24) .8975(2) -.1044(3) .6601(5)
C(25) .9000(2) -.0188(3) .5562(5)
C(26) .8773(2) .3523(2) .5704(5)
C(27) .8571(2) .3358(3) .7437(5)
C(28) .8492(2) .4138(3) .8623(6)
C(29) .8615(2) .5082(3) .8092(7)
C(30) .8820(3) .5248(3) .6413(8)
C(31) .8904(3) .4484(3) .5202(7)
H(5) .822(2) .176(3) .532(5)
H(9) .992(2) .382(3) .111(6)
H(10) 1.046(2) .427(3) -.141(6)
H(11) 1.061(3) .308(4) -.363(7)
H(12) 1.029(2) .147(4) -.346(7)
H(13) .973(2) .106(4) -.091(6)
H(15) .768(2) .239(3) .209(5)
H(16) .699(2) .248(3) -.060(5)
H(17) .703(2) .131(3) -.271(6)
H(18) .775(2) -.006(3) -.255(6)
H(19) .846(2) -.016(3) .006(5)
H(21) .773(2) -.046(3) .298(5)
H(22) .767(2) -.196(3) .448(6)
H(23) .848(2) -.230(3) .689(6)
H(24) .932(2) -.116(3) .754(6)
H(25) .936(2) .032(3) .587(5)
H(27) .846(2) .266(3) .778(5)
H(28) .833(2) .398(3) .986(6)
H(29) .855(2) .556(3) .902(6)
H(30) .896(2) .586(4) .600(7)
H(31) .908(2) .456(3) .404(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) C(2) 1.287(4)
N(1) C(6) 1.417(4)
C(2) C(3) 1.508(5)
C(2) C(8) 1.480(5)
C(3) C(4) 1.532(5)
C(3) O(7) 1.207(4)
C(4) C(5) 1.512(5)
C(4) C(14) 1.543(5)
C(4) C(20) 1.531(4)
C(5) C(6) 1.337(5)
C(6) C(26) 1.486(5)
C(8) C(9) 1.389(6)
C(8) C(13) 1.390(5)
C(9) C(10) 1.373(7)
C(10) C(11) 1.371(7)
C(11) C(12) 1.365(7)
C(12) C(13) 1.382(6)
C(14) C(15) 1.393(5)
C(5) H(5) 0.96(4)
C(9) H(9) 0.91(4)
C(10) H(10) 0.94(4)
C(11) H(11) 0.92(6)
C(12) H(12) 1.05(5)
C(13) H(13) 0.97(5)
C(15) H(15) 0.98(4)
C(16) H(16) 0.98(4)
C(17) H(17) 0.85(5)
C(18) H(18) 1.00(4)
C(19) H(19) 1.05(4)
C(14) C(19) 1.393(5)
C(15) C(16) 1.386(6)
C(16) C(17) 1.373(7)
C(17) C(18) 1.370(7)
C(18) C(19) 1.381(6)
C(20) C(21) 1.376(5)
C(20) C(25) 1.400(5)
C(21) C(22) 1.389(6)
C(22) C(23) 1.372(6)
C(23) C(24) 1.388(6)
C(24) C(25) 1.385(6)
C(26) C(27) 1.387(5)
C(26) C(31) 1.386(7)
C(27) C(28) 1.382(6)
C(28) C(29) 1.366(7)
C(29) C(30) 1.353(8)
C(30) C(31) 1.380(9)
C(21) H(21) 0.92(4)
C(22) H(22) 1.03(4)
C(23) H(23) 0.94(4)
C(24) H(24) 0.98(5)
C(25) H(25) 1.04(4)
C(27) H(27) 1.01(4)
C(28) H(28) 1.02(5)
C(29) H(29) 0.96(5)
C(30) H(30) 0.94(5)
C(31) H(31) 0.97(4)
