Crystallography Open Database

Information card for entry 7125625

Preview

Coordinates	7125625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cl N O P
Calculated formula	C15 H15 Cl N O P
Title of publication	Convenient synthesis of phosphinecarboxamide and phosphinecarbothioamide by hydrophosphination of isocyanates and isothiocyanates.
Authors of publication	Itazaki, Masumi; Matsutani, Takanari; Nochida, Tomoya; Moriuchi, Toshiyuki; Nakazawa, Hiroshi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	3
Pages of publication	443 - 445
a	9.2947 ± 0.0001 Å
b	11.819 ± 0.0002 Å
c	14.46 ± 0.0006 Å
α	85.569 ± 0.006°
β	82.125 ± 0.007°
γ	67.021 ± 0.006°
Cell volume	1448.16 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247625 (current)	2020-02-04	cif/ Updating files of 7125625 Original log message: Adding full bibliography for 7125625.cif.	7125625.cif
244814	2019-11-30	cif/ Adding structures of 7125625 via cif-deposit CGI script.	7125625.cif