Crystallography Open Database

Information card for entry 1552161

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Coordinates	1552161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 P2 Ti
Calculated formula	C52 H68 P2 Ti
Title of publication	A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation
Authors of publication	Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian
Journal of publication	Chemical Science
Year of publication	2019
a	25.4903 ± 0.0014 Å
b	11.6583 ± 0.0006 Å
c	16.449 ± 0.0009 Å
α	90°
β	107.897 ± 0.001°
γ	90°
Cell volume	4651.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0508
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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