#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/10/2101009.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_2101009
loop_
_publ_author_name
'Lenstra, A. T. H.'
'Geise, H. J.'
'De Vos, E.'
'Esmans, E. L.'
'Alderweireldt, F. C.'
'Dillen, J. L. M.'
_publ_section_title
;2-(2,4:3,5-Di-O-benzylidene-<small>D</small>-glycero-<small>D</small>-allo-pentitol-1-yl)pyridine,
 C₂₄H₂₃NO₅
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              699
_journal_page_last               703
_journal_paper_doi               10.1107/S0108768192013296
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C24 H23 N O5'
_chemical_formula_weight         405.4
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7620(10)
_cell_length_b                   13.9840(10)
_cell_length_c                   16.5690(10)
_cell_volume                     2030.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.087
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_F_000             856
_cod_data_source_file            mu0306.cif
_cod_data_source_block           mu0306a
_cod_original_cell_volume        2030.0(10)
_cod_original_formula_sum        'C24 H23 N1 O5'
_cod_database_code               2101009
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N(1) .6069(2) .14620(10) .02010(10)
O(1) .8673(2) .32620(10) .09850(10)
O(2) .70740(10) .44240(10) -.00860(10)
O(3) .45730(10) .31320(10) .12810(10)
O(4) .51950(10) .54680(10) .03850(10)
O(5) .2611(2) .41520(10) .17080(10)
C(1) .7661(2) .28790(10) .04010(10)
C(2) .6353(2) .35790(10) .02370(10)
C(3) .5449(2) .39070(10) .09610(10)
C(4) .4340(2) .46820(10) .06940(10)
C(5) .3373(2) .49890(10) .1400(2)
C(6) .3668(2) .34380(10) .19410(10)
C(7) .2822(2) .25800(10) .22620(10)
C(8) .3436(3) .1678(2) .21680(10)
C(9) .2712(3) .0891(2) .2492(2)
C(10) .1356(3) .0992(2) .2905(2)
C(11) .0745(3) .1886(2) .2999(2)
C(12) .1466(3) .2678(2) .2673(2)
C(13) .6042(2) .51640(10) -.02960(10)
C(14) .6971(2) .59810(10) -.06100(10)
C(15) .6991(3) .6207(2) -.1415(2)
C(16) .7956(3) .6936(2) -.1695(2)
C(17) .8850(4) .7432(2) -.1169(2)
C(18) .8796(3) .7227(2) -.0363(2)
C(19) .7882(3) .6505(2) -.0086(2)
C(20) .7119(2) .18920(10) .06680(10)
C(21) .7789(2) .14420(10) .13230(10)
C(22) .7381(3) .0502(2) .14940(10)
C(23) .6318(3) .0058(2) .1012(2)
C(24) .5686(2) .05570(10) .0391(2)
H(C1) .822(3) .282(2) -.0150(10)
H(C2) .566(3) .3270(10) -.0210(10)
H(C3) .616(3) .4140(10) .1360(10)
H(C4) .365(3) .4420(10) .0270(10)
H(C51) .400(3) .5300(10) .1870(10)
H(C52) .263(3) .5430(10) .1290(10)
H(C6) .436(2) .373(2) .2380(10)
H(C8) .437(3) .1630(10) .1830(10)
H(C9) .316(3) .025(2) .2380(10)
H(C10) .087(3) .0420(10) .3130(10)
H(C11) -.017(3) .2000(10) .3320(10)
H(C12) .108(3) .3320(10) .2740(10)
H(C13) .530(2) .487(2) -.0720(10)
H(C15) .631(3) .5820(10) -.1750(10)
H(C16) .779(3) .702(2) -.2210(10)
H(C17) .963(2) .798(2) -.1330(10)
H(C18) .948(3) .765(2) -.001(2)
H(C19) .779(2) .636(2) .0470(10)
H(C21) .852(3) .1770(10) .1620(10)
H(C22) .791(3) .016(2) .1930(10)
H(C23) .603(3) -.0560(10) .1140(10)
H(C24) .492(2) .029(2) .0020(10)
H(01) .951(3) .3350(10) .0700(10)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O(1) C(1) C(2) 110.4(2)
O(1) C(1) C(20) 109.8(2)
C(2) C(1) C(20) 113.40(10)
C(1) C(2) O(2) 105.20(10)
C(1) C(2) C(3) 116.50(10)
O(2) C(2) C(3) 106.00(10)
C(2) O(2) C(13) 114.20(10)
C(2) C(3) O(3) 110.30(10)
C(2) C(3) C(4) 108.70(10)
O(3) C(3) C(4) 107.80(10)
C(3) O(3) C(6) 111.00(10)
C(3) C(4) O(4) 108.6(2)
C(3) C(4) C(5) 109.60(10)
O(4) C(4) C(5) 110.70(10)
C(4) O(4) C(13) 109.20(10)
C(4) C(5) O(5) 107.7(2)
C(5) O(5) C(6) 111.40(10)
O(3) C(6) O(5) 111.7(2)
O(3) C(6) C(7) 108.0(2)
O(5) C(6) C(7) 109.6(2)
C(8) C(9) C(10) 120.6(2)
C(9) C(10) C(11) 119.2(2)
C(10) C(11) C(12) 120.6(2)
C(7) C(12) C(11) 120.4(2)
O(2) C(13) O(4) 111.0(2)
O(2) C(13) C(14) 107.20(10)
O(4) C(13) C(14) 109.5(2)
C(13) C(14) C(15) 121.40(10)
C(13) C(14) C(19) 120.00(10)
C(15) C(14) C(19) 118.70(10)
C(14) C(15) C(16) 119.8(2)
C(15) C(16) C(17) 120.3(2)
C(16) C(17) C(18) 119.9(2)
C(17) C(18) C(19) 120.1(2)
C(14) C(19) C(18) 121.1(2)
C(1) C(20) N(1) 116.80(10)
N(1) C(20) C(21) 122.70(10)
C(1) C(20) C(21) 120.40(10)
C(20) C(21) C(22) 118.60(10)
C(2) C(22) C(23) 118.90(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C(1) O(1) 1.417(2)
C(1) C(2) 1.532(2)
C(1) C(20) 1.526(2)
C(2) O(2) 1.4420(10)
C(2) C(3) 1.509(2)
C(3) O(3) 1.4300(10)
C(3) C(4) 1.521(2)
C(4) O(4) 1.4260(10)
C(4) C(5) 1.507(2)
C(5) O(5) 1.441(2)
C(6) O(3) 1.4170(10)
C(6) O(5) 1.4150(10)
C(6) C(7) 1.507(2)
C(7) C(8) 1.380(2)
C(7) C(12) 1.376(2)
C(8) C(9) 1.380(2)
C(9) C(10) 1.379(2)
C(10) C(11) 1.369(2)
C(11) C(12) 1.385(2)
C(13) O(2) 1.4180(10)
C(13) O(4) 1.416(2)
C(13) C(14) 1.496(2)
C(14) C(15) 1.372(3)
C(14) C(19) 1.388(3)
C(15) C(16) 1.403(2)
C(16) C(17) 1.362(3)
C(17) C(18) 1.366(3)
C(18) C(19) 1.368(2)
C(20) C(21) 1.384(2)
C(20) N(1) 1.344(2)
C(21) C(22) 1.393(2)
C(22) C(23) 1.374(2)
C(23) C(24) 1.361(2)
C(24) N(1) 1.347(2)
