Crystallography Open Database

Information card for entry 7706403

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Coordinates	7706403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H61 N2 P
Calculated formula	C37 H49 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	11.1141 ± 0.0008 Å
b	13.0309 ± 0.0009 Å
c	14.5537 ± 0.001 Å
α	107.342 ± 0.001°
β	102.554 ± 0.001°
γ	96.167 ± 0.001°
Cell volume	1930 ± 0.2 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	0.0589
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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