Crystallography Open Database

Information card for entry 1545129

Preview

Coordinates	1545129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 O5
Calculated formula	C26 H30 O5
SMILES	c1(cc(c2c(c1)O[C@@H](CC2=O)c1cc(c(c(c1)CC=C(C)C)OC)CC=C(C)C)O)O
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	5.18734 ± 0.00007 Å
b	20.1639 ± 0.0002 Å
c	21.6358 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2263.04 ± 0.04 Å³
Cell temperature	123.01 ± 0.02 K
Ambient diffraction temperature	123.01 ± 0.02 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1545129.cif
190842	2017-01-24	cif/ Adding structures of 1545129 via cif-deposit CGI script.	1545129.cif