Crystallography Open Database

Information card for entry 1545410

Preview

Coordinates	1545410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O6
Calculated formula	C19 H20 O6
SMILES	O1c2c(c(OC)c(OC)c(OC)c2)C(=O)C[C@H]1c1ccc(OC)cc1
Title of publication	Flavonoids from Erythrina schliebenii.
Authors of publication	Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	2
Pages of publication	377 - 383
a	8.3072 ± 0.0002 Å
b	8.03313 ± 0.00019 Å
c	12.8765 ± 0.0003 Å
α	90°
β	101.571 ± 0.003°
γ	90°
Cell volume	841.82 ± 0.04 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 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	0.031
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193205 (current)	2017-03-04	cif/ Adding structures of 1545410 via cif-deposit CGI script.	1545410.cif