Crystallography Open Database

Information card for entry 7706409

Preview

Coordinates	7706409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H87 N2 P
Calculated formula	C58 H75 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	13.3114 ± 0.0004 Å
b	18.0342 ± 0.0005 Å
c	24.3084 ± 0.0007 Å
α	90°
β	104.235 ± 0.0019°
γ	90°
Cell volume	5656.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0665
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7706409.html