Crystallography Open Database

Information card for entry 7134314

Preview

Coordinates	7134314.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(N,N'-dibenzylselenocarbamoyl)(di-o-tolyl)phosphine
Formula	C29 H28 N O P Se
Calculated formula	C29 H28 N O 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	10.9052 ± 0.0002 Å
b	17.7869 ± 0.0004 Å
c	12.694 ± 0.0003 Å
α	90°
β	98.305 ± 0.002°
γ	90°
Cell volume	2436.43 ± 0.09 Å³
Cell temperature	100.4 ± 0.9 K
Ambient diffraction temperature	100.4 ± 0.9 K
Number of distinct elements	6
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	0.0497
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7134314.cif
298352	2025-03-11	cif/ Adding structures of 7134313, 7134314, 7134315, 7134316, 7134317, 7134318, 7134319, 7134320 via cif-deposit CGI script.	7134314.cif