Crystallography Open Database

Information card for entry 7703114

Preview

Coordinates	7703114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 B Cl2 O3 P S2
Calculated formula	C16 H24 B Cl2 O3 P S2
Title of publication	Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.
Authors of publication	Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	901 - 910
a	12.976 ± 0.0013 Å
b	14.0764 ± 0.0012 Å
c	12.6962 ± 0.0012 Å
α	90°
β	111.493 ± 0.005°
γ	90°
Cell volume	2157.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
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	0.1038
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
247739 (current)	2020-02-04	cif/ Updating files of 7703107, 7703108, 7703109, 7703110, 7703111, 7703112, 7703113, 7703114, 7703115, 7703116 Original log message: Adding full bibliography for 7703107--7703116.cif.	7703114.cif
246382	2020-01-01	cif/ Adding structures of 7703107, 7703108, 7703109, 7703110, 7703111, 7703112, 7703113, 7703114, 7703115, 7703116 via cif-deposit CGI script.	7703114.cif