Crystallography Open Database

Information card for entry 1552158

Preview

Coordinates	1552158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H51 P3
Calculated formula	C36 H51 P3
SMILES	c1(c(cccc1C(C)C)C(C)C)P1P(c2c(cccc2C(C)C)C(C)C)P1c1c(cccc1C(C)C)C(C)C
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	12.2853 ± 0.0004 Å
b	11.4142 ± 0.0004 Å
c	23.9255 ± 0.0007 Å
α	90°
β	92.033 ± 0.001°
γ	90°
Cell volume	3352.89 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.0372
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217441 (current)	2019-08-07	cif/ Adding structures of 1552158, 1552159, 1552160, 1552161, 1552162 via cif-deposit CGI script.	1552158.cif