Crystallography Open Database

Information card for entry 8107393

Preview

Coordinates	8107393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 O11
Calculated formula	C26 H44 O11
SMILES	O[C@@]12[C@@]3(CC[C@@H]4[C@](CCC[C@@]14C)(C)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C[C@@H](CC2)C(=C)[C@@H]3O.O.O
Title of publication	Crystal structure of (−)-β-D-19-glucopiranosyl-9,15-dihydroxy kaurenoate, C26H40O9
Authors of publication	Wang, Lei; Li, Guang-Jie; Ye, Jiang-Hai; He, Kang; Zou, Juan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	197 - 199
a	22.6816 ± 0.0012 Å
b	7.3911 ± 0.0003 Å
c	15.6072 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2616.4 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0549
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
284500 (current)	2023-06-20	cif/ Adding structures of 8107393 via cif-deposit CGI script.	8107393.cif