Crystallography Open Database

Information card for entry 1502501

Preview

Coordinates	1502501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27.25 N2 O9.63
Calculated formula	C19 H27.26 N2 O9.625
SMILES	n1c(cc2O[C@H]3O[C@@H]([C@@H](OC)[C@H](O)[C@]3(Oc2c1c1ncccc1)OC)C)CO.O.O.O
Title of publication	Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.
Authors of publication	Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	5948 - 5951
a	24.47 ± 0.003 Å
b	24.47 ± 0.003 Å
c	7.359 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4406.4 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.1903
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2495
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	1502501.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502501.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502501.cif
35795	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502501 via cif-deposit CGI script.	1502501.cif