Crystallography Open Database

Information card for entry 1545128

Preview

Coordinates	1545128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O5
Calculated formula	C21 H20 O5
SMILES	O1c2c(c(O)cc(O)c2)C(=O)C(=C1)c1cc(c(OC)cc1)CC=C(C)C
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	8.5769 ± 0.0003 Å
b	9.1101 ± 0.0003 Å
c	11.523 ± 0.0004 Å
α	78.724 ± 0.002°
β	76.207 ± 0.002°
γ	81.728 ± 0.002°
Cell volume	853.04 ± 0.05 Å³
Cell temperature	173.15 ± 0.1 K
Ambient diffraction temperature	173.15 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1545128.cif
190841	2017-01-24	cif/ Adding structures of 1545128 via cif-deposit CGI script.	1545128.cif