Crystallography Open Database

Information card for entry 1514535

Preview

Coordinates	1514535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H60 O6
Calculated formula	C37 H59.6 O6
SMILES	C=CCO[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3[C@H](C[C@]2([C@]2([C@H]1[C@H](CC2)[C@](CCC=C(C)C)(O)C)C)C)OC(=O)C)(C)C)OC(=O)C
Title of publication	Synthetic access toward the diverse ginsenosides
Authors of publication	Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	10
Pages of publication	3899
a	10.4149 ± 0.0008 Å
b	13.7246 ± 0.0011 Å
c	24.603 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3516.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1514535.cif
110176	2014-04-18	cif/ Adding structures of 1514535, 1514536, 1514537, 1514538 via cif-deposit CGI script.	1514535.cif