Crystallography Open Database

Information card for entry 7155307

Preview

Coordinates	7155307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 N O Se
Calculated formula	C35 H55 N O Se
SMILES	[Se](CC[C@@]12CC[C@]3([C@@]4(CC[C@H]5C([C@@H](OCC=C)CC[C@@]5([C@H]4CC[C@@H]3[C@H]1[C@@H](CC2)C(=C)C)C)(C)C)C)C)C#N
Title of publication	Synthesis of 28a-homoselenolupanes and 28a-homoselenolupane saponins.
Authors of publication	Sidoryk, Katarzyna; Rárová, Lucie; Oklešťková, Jana; Pakulski, Zbigniew; Strnad, Miroslav; Cmoch, Piotr; Luboradzki, Roman
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	43
Pages of publication	10238 - 10248
a	13.729 ± 0.002 Å
b	8.3619 ± 0.0009 Å
c	14.594 ± 0.003 Å
α	90°
β	114.96 ± 0.02°
γ	90°
Cell volume	1518.9 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1157
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2644
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
188293 (current)	2016-11-08	cif/ Updating files of 7155307 Original log message: Adding full bibliography for 7155307.cif.	7155307.cif
187255	2016-10-11	cif/ Adding structures of 7155307 via cif-deposit CGI script.	7155307.cif