data_2007121
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_publ_section_title
;
2,3-Dihydro-6,7-dimethyl-2-phenyl-4H-1-benzopyran-4-one
;
loop_
_publ_author_name
  'Suchada Chantrapromma'
  'Narintha Chawaluechai'
  'Chatchanok Karalai'
  'Kan Chantrapromma'
  'Hoong-Kun Fun'
  'Kandasamy Chinnakali'
  'Ibrahim Abdul Razak'
_chemical_formula_moiety  'C17 H16 O2'
_chemical_formula_sum  'C17 H16 O2'
_chemical_formula_weight  252.31
_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  5.057(2)
_cell_length_b  11.046(2)
_cell_length_c  12.531(2)
_cell_angle_alpha  88.525(14)
_cell_angle_beta  87.03(2)
_cell_angle_gamma  79.29(2)
_cell_volume  686.8(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.220
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0521
_refine_ls_wR_factor_obs  .1510
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  O1  .0845(2)  .08285(10)  .20093(8)  .0537(3) Uani d . 1 . O
  C2  .1899(3)  -.01638(14)  .27374(12)  .0473(4) Uani d . 1 . C
  C3  .2967(4)  .0361(2)  .37056(13)  .0533(4) Uani d . 1 . C
  C4  .0831(3)  .1300(2)  .42595(13)  .0530(4) Uani d . 1 . C
  C5  -.3296(4)  .2895(2)  .3951(2)  .0579(5) Uani d . 1 . C
  C6  -.5122(4)  .3587(2)  .3300(2)  .0611(5) Uani d . 1 . C
  C7  -.4884(4)  .3364(2)  .2193(2)  .0604(5) Uani d . 1 . C
  C8  -.2862(4)  .2439(2)  .17969(15)  .0567(4) Uani d . 1 . C
  C9  -.1058(3)  .17395(14)  .24670(12)  .0475(4) Uani d . 1 . C
  C10  -.1218(3)  .19699(14)  .35579(12)  .0489(4) Uani d . 1 . C
  O11  .0854(3)  .15097(13)  .52068(10)  .0742(4) Uani d . 1 . O
  C12  .4076(3)  -.10495(15)  .21576(12)  .0510(4) Uani d . 1 . C
  C13  .5606(4)  -.0687(2)  .1309(2)  .0684(5) Uani d . 1 . C
  C14  .7739(5)  -.1507(2)  .0837(2)  .0845(7) Uani d . 1 . C
  C15  .8318(5)  -.2701(2)  .1213(2)  .0850(7) Uani d . 1 . C
  C16  .6799(6)  -.3069(2)  .2058(2)  .0927(8) Uani d . 1 . C
  C17  .4703(5)  -.2253(2)  .2529(2)  .0784(6) Uani d . 1 . C
  C18  -.7370(5)  .4552(2)  .3778(3)  .0869(8) Uani d . 1 . C
  C19  -.6798(6)  .4104(2)  .1431(3)  .0872(8) Uani d . 1 . C
  H2  .038(3)  -.0557(14)  .2968(12)  .043(4) Uiso d . 1 . H
  H3A  .453(4)  .0787(16)  .3476(14)  .060(5) Uiso d . 1 . H
  H3B  .364(4)  -.0329(19)  .4164(17)  .069(5) Uiso d . 1 . H
  H5  -.343(4)  .3012(19)  .4680(19)  .074(6) Uiso d . 1 . H
  H8  -.262(4)  .2262(18)  .1041(17)  .070(6) Uiso d . 1 . H
  H13  .509(5)  .016(2)  .1053(18)  .088(7) Uiso d . 1 . H
  H14  .894(5)  -.118(3)  .024(2)  .113(9) Uiso d . 1 . H
  H15  .977(6)  -.320(3)  .089(2)  .105(8) Uiso d . 1 . H
  H16  .737(6)  -.391(3)  .237(2)  .125(10) Uiso d . 1 . H
  H17  .354(5)  -.245(2)  .308(2)  .090(8) Uiso d . 1 . H
  H18A  -.723(7)  .540(3)  .354(3)  .139(11) Uiso d . 1 . H
  H19A  -.859(7)  .402(3)  .156(3)  .132(12) Uiso d . 1 . H
  H19B  -.669(6)  .490(3)  .145(2)  .114(10) Uiso d . 1 . H
  H19C  -.616(6)  .387(3)  .061(3)  .126(10) Uiso d . 1 . H
  H18B  -.918(6)  .439(3)  .357(2)  .110(8) Uiso d . 1 . H
  H18C  -.740(9)  .457(4)  .453(4)  .186(18) Uiso d . 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  .0555(7)  .0558(6)  .0421(6)  .0086(5)  .0011(5)  .0015(5)
  C2  .0477(8)  .0479(8)  .0441(8)  -.0035(7)  -.0033(7)  .0039(6)
  C3  .0504(9)  .0595(10)  .0503(9)  -.0093(8)  -.0085(7)  .0007(7)
  C4  .0579(10)  .0578(9)  .0456(8)  -.0174(8)  .0022(7)  -.0037(7)
  C5  .0595(10)  .0536(9)  .0607(10)  -.0123(8)  .0084(9)  -.0144(8)
  C6  .0505(9)  .0480(9)  .0835(12)  -.0067(8)  .0077(9)  -.0129(9)
  C7  .0506(10)  .0472(9)  .0806(12)  -.0013(8)  -.0057(9)  -.0005(8)
  C8  .0571(10)  .0539(9)  .0554(9)  -.0006(8)  -.0028(8)  .0006(8)
  C9  .0442(8)  .0471(8)  .0491(8)  -.0046(7)  .0039(7)  -.0013(7)
  C10  .0473(8)  .0486(8)  .0512(8)  -.0109(7)  .0055(7)  -.0050(7)
  O11  .0884(10)  .0875(9)  .0448(6)  -.0104(8)  -.0025(6)  -.0101(6)
  C12  .0503(9)  .0515(9)  .0486(8)  -.0007(7)  -.0095(7)  -.0028(7)
  C13  .0726(12)  .0608(11)  .0612(10)  .0119(10)  .0074(10)  -.0003(9)
  C14  .0809(15)  .0861(15)  .0721(12)  .0173(12)  .0154(12)  -.0050(11)
  C15  .0783(14)  .0789(14)  .0827(15)  .0284(12)  -.0087(12)  -.0183(12)
  C16  .101(2)  .0561(12)  .108(2)  .0204(12)  -.013(2)  .0032(12)
  C17  .0853(15)  .0558(11)  .0850(14)  .0067(11)  .0041(13)  .0097(10)
  C18  .0666(14)  .0596(13)  .129(2)  .0025(11)  .0146(15)  -.0285(14)
  C19  .075(2)  .0631(14)  .115(2)  .0128(12)  -.0245(15)  .0050(13)
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 C9 . 1.371(2) yes
  O1 C2 . 1.449(2) yes
  C2 C12 . 1.500(2) ?
  C2 C3 . 1.523(2) yes
  C3 C4 . 1.506(2) yes
  C4 O11 . 1.217(2) yes
  C4 C10 . 1.473(2) yes
  C5 C6 . 1.373(3) ?
  C5 C10 . 1.401(2) ?
  C6 C7 . 1.411(3) ?
  C6 C18 . 1.516(3) ?
  C7 C8 . 1.386(2) ?
  C7 C19 . 1.509(3) ?
  C8 C9 . 1.385(2) ?
  C9 C10 . 1.392(2) ?
  C12 C13 . 1.377(3) ?
  C12 C17 . 1.382(3) ?
  C13 C14 . 1.390(3) ?
  C14 C15 . 1.374(3) ?
  C15 C16 . 1.373(4) ?
  C16 C17 . 1.376(3) ?