Crystallography Open Database

Information card for entry 1567699

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Coordinates	1567699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H57 P3 Si3
Calculated formula	C48 H57 P3 Si3
Title of publication	[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins
Authors of publication	Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	41
Pages of publication	12239 - 12244
a	26.6644 ± 0.0013 Å
b	42.3661 ± 0.0013 Å
c	9.7021 ± 0.0003 Å
α	90°
β	104.927 ± 0.002°
γ	90°
Cell volume	10590.3 ± 0.7 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
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	0.1029
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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