Crystallography Open Database

Information card for entry 7160231

Preview

Coordinates	7160231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 B Cl4 N4 O P
Calculated formula	C44 H54 B Cl4 N4 O P
Title of publication	Transformation of CO<sub>2</sub> and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ<sup>5</sup>-oxazaphosphetanes.
Authors of publication	Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	23
Journal issue	1
Pages of publication	202 - 206
a	9.9059 ± 0.0001 Å
b	19.1588 ± 0.0002 Å
c	23.634 ± 0.0002 Å
α	90°
β	93.518 ± 0.001°
γ	90°
Cell volume	4476.93 ± 0.08 Å³
Cell temperature	193.15 K
Ambient diffraction temperature	193.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299071 (current)	2025-04-05	cif/ Updating files of 7160230, 7160231, 7160232, 7160233, 7160234, 7160235 Original log message: Adding full bibliography for 7160230--7160235.cif.	7160231.cif
295911	2024-11-14	cif/ Adding structures of 7160230, 7160231, 7160232, 7160233, 7160234, 7160235 via cif-deposit CGI script.	7160231.cif