Crystallography Open Database

Information card for entry 1514536

Preview

Coordinates	1514536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H62 O9
Calculated formula	C38 H62 O9
SMILES	O([C@H]1CC[C@]2([C@H](C1(C)C)[C@@H](OC(=O)C)C[C@@]1([C@@H]2C[C@@H](OC(=O)C)[C@H]2[C@]1(CC[C@@H]2[C@](O)(C)CCC=C(C)C)C)C)C)C(=O)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	8.7254 ± 0.0017 Å
b	9.5176 ± 0.0019 Å
c	12.415 ± 0.003 Å
α	89.65 ± 0.03°
β	80.46 ± 0.03°
γ	70.65 ± 0.03°
Cell volume	958 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1514536.cif
110176	2014-04-18	cif/ Adding structures of 1514535, 1514536, 1514537, 1514538 via cif-deposit CGI script.	1514536.cif