#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007417.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_2007417
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  978
_journal_page_last  980
_publ_section_title
;
7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline
;
loop_
_publ_author_name
  'Graham, Duncan'
  'Kennedy, Alan R.'
_chemical_formula_moiety  'C13 H17 N O'
_chemical_formula_sum  'C13 H17 N O'
_chemical_formula_weight  203.28
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  '  +x,  +y,  +z'
  '1/2-x,  -y,1/2+z'
  '1/2+x,1/2-y,  -z'
  '  -x,1/2+y,1/2-z'
_cell_length_a  8.4830(10)
_cell_length_b  19.174(3)
_cell_length_c  7.1793(8)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1167.8(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  123
_exptl_crystal_density_diffrn  1.156
_exptl_crystal_density_meas  none
_diffrn_ambient_temperature  123
_refine_ls_R_factor_obs  .036
_refine_ls_wR_factor_obs  .041
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
  O1  .4117(2)  .36268(7) 1.0149(2)  .0433(9) Uani ? ?
  N1  .5839(2)  .13776(8)  .7842(2)  .0358(9) Uani ? ?
  C1  .5424(2)  .07080(10)
  .7008(3)  .0370(10)
  Uani ? ?
  C2  .4538(2)  .08520(10)
  .5222(3)  .0400(10)
  Uani ? ?
  C3  .3763(2)  .14470(10)
  .4887(3)  .0380(10)
  Uani ? ?
  C4  .3798(2)  .20140(10)
  .6259(3)  .0360(10)
  Uani ? ?
  C5  .4854(2)  .19504(10)  .7770(3)  .0320(10)
  Uani ? ?
  C6  .4966(2)  .24790(10)
  .9100(3)  .0320(10)
  Uani ? ?
  C7  .4060(2)  .30760(10)
  .8923(3)  .0360(10)
  Uani ? ?
  C8  .3016(2)  .31520(10)
  .7429(3)  .0400(10)
  Uani ? ?
  C9  .2901(2)  .26250(10)
  .6134(3)  .0400(10)
  Uani ? ?
  C10  .4396(3)  .02730(10)
  .8332(3)  .0480(10)
  Uani ? ?
  C11  .6948(3)  .03190(10)
  .6593(3)  .0390(10)
  Uani ? ?
  C12  .2835(3)  .15460(10)
  .3113(3)  .0510(10)
  Uani ? ?
  C13  .5201(3)  .35730(10)
  1.1669(3)  .0470(10)
  Uani ? ?
  H1  .6481  .1369  .8765  .039(6) Uiso ? ?
  H2  .4496  .0477  .4385  .028(5) Uiso ? ?
  H3  .5652  .2418 1.0159  .037(6) Uiso ? ?
  H4  .2367  .3582  .7323  .045(6) Uiso ? ?
  H5  .2211  .2680  .5162  .041(6) Uiso ? ?
  H6  .4923  .0186  .9517  .039(5) Uiso ? ?
  H7  .4064  -.0185  .7736  .066(7) Uiso ? ?
  H8  .3376  .0519  .8593  .081(9) Uiso ? ?
  H9  .6762  -.0148  .5995  .039(5) Uiso ? ?
  H10  .7597  .0597  .5687  .057(7) Uiso ? ?
  H11  .7549  .0269  .7697  .042(6) Uiso ? ?
  H12  .3163  .1988  .2419  .056(7) Uiso ? ?
  H13  .1747  .1606  .3449  .053(7) Uiso ? ?
  H14  .3098  .1123  .2210  .068(8) Uiso ? ?
  H15  .6350  .3487 1.1210  .047(6) Uiso ? ?
  H16  .4906  .3174 1.2560  .043(6) Uiso ? ?
  H17  .5184  .4036 1.2348  .054(7) Uiso ? ?
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  .0394(8)  .0410(8)  .0494(9)  .0129(7)  .0044(7)  .0042(8)
  N1  .0324(9)  .0361(9)  .0388(10)  .0060(8)  -.0092(8)  .0012(8)
  C1  .0350(10)
  .0370(10)
  .0370(10)
  -.0012(9)  -.0049(10)  .0045(9)
  C2  .0390(10)
  .0410(10)
  .0390(10)
  -.0109(9)  -.0070(10)
  .0020(10)
  C3  .0300(10)
  .0480(10)
  .0370(10)
  -.0080(9)  -.0047(9)  .0130(10)
  C4  .0270(10)
  .0420(10)
  .0370(10)
  -.0049(9)  .0013(9)  .0158(10)
  C5  .0225(9)  .0350(10)
  .0390(10)
  -.0021(9)  .0018(8)  .0115(9)
  C6  .0238(9)  .0370(10)
  .0350(10)
  .0018(8)  .0030(9)  .0114(9)
  C7  .0295(10)  .0390(10)
  .0390(10)
  .0015(10)  .0094(9)  .0102(10)
  C8  .0300(10)
  .0420(10)
  .0470(10)
  .0082(10)  .0050(10)
  .0170(10)
  C9  .0290(10)
  .0510(10)
  .0420(10)
  .0010(10)
  -.0055(10)  .0200(10)
  C10  .0410(10)
  .0540(10)
  .0490(10)
  -.0050(10)
  .0020(10)
  .0140(10)
  C11  .0420(10)
  .0390(10)
  .0360(10)
  .0020(10)
  -.0050(10)
  -.0015(10)
  C12  .0440(10)
  .0620(10)
  .0460(10)
  -.0100(10)
  -.0150(10)
  .0160(10)
  C13  .0430(10)
  .0430(10)
  .0550(10)
  .0090(10)
  -.0010(10)
  -.0030(10)
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 C7 ? ? 1.376(2) no
  O1 C13 ? ? 1.431(3) no
  N1 C1 ? ? 1.459(3) yes
  N1 C5 ? ? 1.381(2) yes
  N1 H1 ? ?  .858(2) no
  C1 C2 ? ? 1.512(3) yes
  C1 C10 ? ? 1.536(3) no
  C1 C11 ? ? 1.522(3) no
  C2 C3 ? ? 1.338(3) yes
  C2 H2 ? ?  .938(2) no
  C3 C4 ? ? 1.469(3) yes
  C3 C12 ? ? 1.510(3) no
  C4 C5 ? ? 1.412(3) yes
  C4 C9 ? ? 1.399(3) no
  C5 C6 ? ? 1.395(3) no
  C6 C7 ? ? 1.385(3) no
  C6 H3 ? ?  .965(2) no
  C7 C8 ? ? 1.399(3) no
  C8 C9 ? ? 1.377(3) no
  C8 H4 ? ?  .994(2) no
  C9 H5 ? ?  .917(2) no
  C10 H6 ? ?  .975(2) no
  C10 H7 ? ? 1.018(2) no
  C10 H8 ? ? 1.003(2) no
  C11 H9 ? ? 1.006(2) no
  C11 H10 ? ? 1.005(2) no
  C11 H11 ? ?  .947(2) no
  C12 H12 ? ? 1.022(2) no
  C12 H13 ? ?  .961(3) no
  C12 H14 ? ? 1.062(3) no
  C13 H15 ? ? 1.042(2) no
  C13 H16 ? ? 1.028(2) no
  C13 H17 ? ? 1.014(2) no