Crystallography Open Database

Information card for entry 1548121

Preview

Coordinates	1548121.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Polystachyne G/15-epi-polystachyne G
Formula	C20 H22 O8
Calculated formula	C20 H22 O8
SMILES	O1[C@@H]2[C@H]1C[C@H]1[C@@]3(C[C@H]4O[C@@H]5O[C@H](C[C@@]5([C@@H]4C)[C@H]23)C2=CC(OC2=O)O)COC1=O
Title of publication	neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.
Authors of publication	Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	11
Pages of publication	3003 - 3009
a	10.9433 ± 0.0012 Å
b	7.8994 ± 0.0009 Å
c	11.2708 ± 0.0017 Å
α	90°
β	118.237 ± 0.007°
γ	90°
Cell volume	858.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1919
Residual factor for significantly intense reflections	0.1321
Weighted residual factors for significantly intense reflections	0.3358
Weighted residual factors for all reflections included in the refinement	0.3676
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203989 (current)	2017-12-05	cif/ Updating files of 1548120, 1548121, 1548122 Original log message: Adding full bibliography for 1548120--1548122.cif.	1548121.cif
203369	2017-11-21	cif/ Adding structures of 1548121 via cif-deposit CGI script.	1548121.cif