Crystallography Open Database

Information card for entry 7154143

Preview

Coordinates	7154143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 N2 O10
Calculated formula	C37 H40 N2 O10
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	10.53 ± 0.002 Å
b	13.602 ± 0.003 Å
c	13.65 ± 0.003 Å
α	65.69 ± 0.03°
β	80.28 ± 0.03°
γ	81.84 ± 0.03°
Cell volume	1750.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1203
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180327 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/41.	7154143.cif
133475	2015-03-06	cif/ Updating files of 7154142, 7154143 Original log message: Adding full bibliography for 7154142--7154143.cif.	7154143.cif
125349	2014-10-15	cif/ Adding structures of 7154142, 7154143 via cif-deposit CGI script.	7154143.cif