Crystallography Open Database

Information card for entry 1558856

Preview

Coordinates	1558856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 O7
Calculated formula	C42 H44 O7
SMILES	O1[C@@H](C[C@H](c2c(OC)cc(OC)c(c12)CC=C(C)C)c1c(O)c2C(=O)C[C@H](Oc2c(c1O)CC=C(C)C)c1ccccc1)c1ccccc1
Title of publication	Prenylated Flavonoids from the Roots of <i>Tephrosia rhodesica</i>.
Authors of publication	Atilaw, Yoseph; Muiva-Mutisya, Lois; Bogaerts, Jonathan; Duffy, Sandra; Valkonen, Arto; Heydenreich, Matthias; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté; Yenesew, Abiy
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	8
Pages of publication	2390 - 2398
a	12.9977 ± 0.0003 Å
b	9.61 ± 0.0002 Å
c	15.9499 ± 0.0004 Å
α	90°
β	111.677 ± 0.003°
γ	90°
Cell volume	1851.38 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.039
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
255874 (current)	2020-09-04	cif/ Updating files of 1558856 Original log message: Adding full bibliography for 1558856.cif.	1558856.cif
255326	2020-08-15	cif/ Adding structures of 1558856 via cif-deposit CGI script.	1558856.cif