Crystallography Open Database

Information card for entry 7706402

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Coordinates	7706402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H49 N2 O P
Calculated formula	C25 H41 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	15.0307 ± 0.0009 Å
b	9.7034 ± 0.0006 Å
c	20.4134 ± 0.0012 Å
α	90°
β	104.02 ± 0.0024°
γ	90°
Cell volume	2888.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0608
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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