Crystallography Open Database

Information card for entry 7706412

Preview

Coordinates	7706412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H72 N2 P
Calculated formula	C54 H65 N2 P
Title of publication	Reactivity of phospha-Wittig reagents towards NHCs and NHOs.
Authors of publication	Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	5
Pages of publication	1838 - 1844
a	9.0953 ± 0.0009 Å
b	12.8174 ± 0.0012 Å
c	22.854 ± 0.002 Å
α	86.172 ± 0.003°
β	87.117 ± 0.003°
γ	69.713 ± 0.003°
Cell volume	2492.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0697
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
262614 (current)	2021-03-05	cif/ Updating files of 7706402, 7706403, 7706404, 7706405, 7706406, 7706407, 7706408, 7706409, 7706410, 7706411, 7706412 Original log message: Adding full bibliography for 7706402--7706412.cif.	7706412.cif
260938	2021-01-14	cif/ Adding structures of 7706402, 7706403, 7706404, 7706405, 7706406, 7706407, 7706408, 7706409, 7706410, 7706411, 7706412 via cif-deposit CGI script.	7706412.cif