Crystallography Open Database

Information card for entry 7706405

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Coordinates	7706405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H128 N4 P2
Calculated formula	C88 H128 N4 P2
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	9.8045 ± 0.0004 Å
b	17.1656 ± 0.0008 Å
c	24.305 ± 0.0011 Å
α	86.6392 ± 0.0022°
β	87.4849 ± 0.0022°
γ	84.6245 ± 0.0021°
Cell volume	4062.5 ± 0.3 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	0.0595
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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