Crystallography Open Database

Information card for entry 4031009

Preview

Coordinates	4031009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 O2
Calculated formula	C20 H26 O2
Title of publication	Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.
Authors of publication	Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	11
Pages of publication	5386 - 5394
a	4.5889 ± 0.0002 Å
b	46.758 ± 0.002 Å
c	8.8264 ± 0.0005 Å
α	90°
β	104.958 ± 0.003°
γ	90°
Cell volume	1829.69 ± 0.15 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.118
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.274
Weighted residual factors for all reflections included in the refinement	0.2845
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
140159 (current)	2015-07-05	cif/ Updating files of 4031008, 4031009 Original log message: Adding full bibliography for 4031008--4031009.cif.	4031009.cif
136996	2015-05-20	cif/ Adding structures of 4031008, 4031009 via cif-deposit CGI script.	4031009.cif