Crystallography Open Database

Information card for entry 7134315

Preview

Coordinates	7134315.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(N,N'-dibenzylselenocarbamoyl)di[bis(trifluoromethyl)phenyl]phosphine
Formula	C31 H20 F12 N P Se
Calculated formula	C31 H20 F12 N P Se
Title of publication	Selenoamides with two reactive sites: synthesis, structures, and dual reactivity of (selenocarbamoyl)phosphines.
Authors of publication	Masuda, Ryosuke; Yano, Tamaki; Kusama, Hiroyuki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	26
Pages of publication	4955 - 4958
a	6.8359 ± 0.0005 Å
b	12.3127 ± 0.001 Å
c	35.205 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2963.1 ± 0.5 Å³
Cell temperature	99.97 ± 0.18 K
Ambient diffraction temperature	99.97 ± 0.18 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation probe	x-ray
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
298762 (current)	2025-04-05	cif/ Updating files of 7134313, 7134314, 7134315, 7134316, 7134317, 7134318, 7134319, 7134320 Original log message: Adding full bibliography for 7134313--7134320.cif.	7134315.cif
298352	2025-03-11	cif/ Adding structures of 7134313, 7134314, 7134315, 7134316, 7134317, 7134318, 7134319, 7134320 via cif-deposit CGI script.	7134315.cif