Crystallography Open Database

Information card for entry 7125674

Preview

Structure parameters

Formula	C56 H41 B F20 N O P
Calculated formula	C56 H41 B F20 N O P
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	35.439 ± 0.004 Å
b	35.468 ± 0.004 Å
c	7.9392 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9979.2 ± 1.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7125674.cif
247617	2020-02-04	cif/ Updating files of 7125674, 7125675, 7125676, 7125677 Original log message: Adding full bibliography for 7125674--7125677.cif.	7125674.cif
245463	2019-12-21	cif/ Adding structures of 7125674, 7125675, 7125676, 7125677 via cif-deposit CGI script.	7125674.cif