Crystallography Open Database

Information card for entry 7125677

Preview

Coordinates	7125677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H82 N2 O6 P2
Calculated formula	C52 H82 N2 O6 P2
Title of publication	Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.
Authors of publication	Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1341 - 1344
a	18.3588 ± 0.0005 Å
b	15.6255 ± 0.0003 Å
c	17.7751 ± 0.0005 Å
α	90°
β	95.085 ± 0.001°
γ	90°
Cell volume	5079 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
247617 (current)	2020-02-04	cif/ Updating files of 7125674, 7125675, 7125676, 7125677 Original log message: Adding full bibliography for 7125674--7125677.cif.	7125677.cif
245463	2019-12-21	cif/ Adding structures of 7125674, 7125675, 7125676, 7125677 via cif-deposit CGI script.	7125677.cif