Crystallography Open Database

Information card for entry 7154142

Preview

Coordinates	7154142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.25 H32.5 Cl0.5 F6 O6
Calculated formula	C43.25 H32.5 Cl0.5 F6 O6
Title of publication	Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.
Authors of publication	Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	2
Pages of publication	398 - 408
a	12.174 ± 0.002 Å
b	21.206 ± 0.004 Å
c	14.57 ± 0.003 Å
α	90°
β	92.65 ± 0.03°
γ	90°
Cell volume	3757.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7154142.cif
133475	2015-03-06	cif/ Updating files of 7154142, 7154143 Original log message: Adding full bibliography for 7154142--7154143.cif.	7154142.cif
125349	2014-10-15	cif/ Adding structures of 7154142, 7154143 via cif-deposit CGI script.	7154142.cif