Crystallography Open Database

Information card for entry 1502450

Preview

Coordinates	1502450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N2 O8
Calculated formula	C24 H24 N2 O8
SMILES	O=N(=O)c1cccc(c1)[C@H]1N=C(O[C@H]2O[C@@H]([C@@H](OC(=O)C)C[C@@H]12)COC(=O)C)c1ccccc1
Title of publication	Highly facialselective synthesis of pyranose 1,3-oxazines and their ring opening with nucleophiles: a novel entry to 2-C-branched glycosides.
Authors of publication	Yin, Biao-Lin; Zhang, Ze-Ren; Xu, Li-Wen; Jiang, Huanfeng
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5088 - 5091
a	11.367 ± 0.002 Å
b	9.0168 ± 0.0018 Å
c	11.449 ± 0.002 Å
α	90°
β	94.36 ± 0.03°
γ	90°
Cell volume	1170.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1312
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502450.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502450.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502450.cif
35748	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502450 via cif-deposit CGI script.	1502450.cif