Crystallography Open Database

Information card for entry 1545126

Preview

Coordinates	1545126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O6
Calculated formula	C19 H18 O6
SMILES	O1c2c(c(OC)c(OC)c(OC)c2)C(=O)C=C1c1ccc(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	11.8767 ± 0.0003 Å
b	9.3428 ± 0.0003 Å
c	16.2435 ± 0.0005 Å
α	90°
β	113.85 ± 0.002°
γ	90°
Cell volume	1648.49 ± 0.09 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
193526 (current)	2017-03-04	cif/ Updating files of 1545126, 1545127, 1545128, 1545129 Original log message: Adding full bibliography for 1545126--1545129.cif.	1545126.cif
190839	2017-01-24	cif/ Adding structures of 1545126 via cif-deposit CGI script.	1545126.cif