Crystallography Open Database

Information card for entry 7134313

Preview

Coordinates	7134313.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Bn)2NC(=Se)PPh2
Formula	C27 H24 N P Se
Calculated formula	C27 H24 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	9.8139 ± 0.0007 Å
b	17.3013 ± 0.0011 Å
c	26.7081 ± 0.0018 Å
α	90°
β	98.701 ± 0.006°
γ	90°
Cell volume	4482.7 ± 0.5 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	I 1 a 1
Hall space group symbol	I -2ya
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7134313.cif
298352	2025-03-11	cif/ Adding structures of 7134313, 7134314, 7134315, 7134316, 7134317, 7134318, 7134319, 7134320 via cif-deposit CGI script.	7134313.cif