Crystallography Open Database

Information card for entry 4078553

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Coordinates	4078553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H47 F2 N2 O0.5 P
Calculated formula	C45 H47 F2 N2 O0.5 P
Title of publication	4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes
Authors of publication	Bates, Joshua I.; Gates, Derek P.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4529
a	28.9422 ± 0.0019 Å
b	15.8054 ± 0.0011 Å
c	19.7371 ± 0.0013 Å
α	90°
β	118.977 ± 0.002°
γ	90°
Cell volume	7898.3 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1793
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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