Crystallography Open Database

Information card for entry 1564533

Preview

Coordinates	1564533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H40 O10
Calculated formula	C29 H40 O10
SMILES	O([C@H]1[C@H]2O[C@H]2C[C@]2(O)[C@@H](O)C(=O)[C@@H]3[C@@H]([C@@]12C)C[C@H](OC(=O)C)[C@]1([C@H]3C(=O)[C@@H]2[C@@H]1[C@@H](C[C@H](O)[C@H]2C)C)C)C(=O)C
Title of publication	Taccachatrones A-G, Highly Oxidized Steroids from the Rhizomes of <i>Tacca chantrierii</i> and Their Cytotoxicity Assessment.
Authors of publication	He, Juan; Ma, Rui; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	8
Pages of publication	2265 - 2271
a	13.7785 ± 0.0006 Å
b	9.1111 ± 0.0004 Å
c	23.6073 ± 0.0009 Å
α	90°
β	96.807 ± 0.002°
γ	90°
Cell volume	2942.7 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268454 (current)	2021-09-04	cif/ Adding structures of 1564533 via cif-deposit CGI script.	1564533.cif