Crystallography Open Database

Information card for entry 1548120

Preview

Coordinates	1548120.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	salvifiline A /15-epi-salvifiline A
Formula	C20 H22 O7
Calculated formula	C20 H22 O7
SMILES	O1[C@@H]2C[C@@]34[C@H](CC=C[C@H]3[C@]3([C@@H]2C)C[C@@H](O[C@@H]13)C1=CC(OC1=O)O)C(=O)OC4
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	10.9006 ± 0.0006 Å
b	7.8767 ± 0.0005 Å
c	11.1971 ± 0.0006 Å
α	90°
β	118.648 ± 0.002°
γ	90°
Cell volume	843.7 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0321
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	1548120.cif
203368	2017-11-21	cif/ Adding structures of 1548120 via cif-deposit CGI script.	1548120.cif