Crystallography Open Database

Information card for entry 1572852

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Coordinates	1572852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 N4 Si
Calculated formula	C31 H46 N4 Si
Title of publication	Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
Authors of publication	Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
Journal of publication	Chemical Science
Year of publication	2024
a	10.2595 ± 0.0008 Å
b	19.2221 ± 0.0014 Å
c	16.2971 ± 0.0013 Å
α	90°
β	107.065 ± 0.003°
γ	90°
Cell volume	3072.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0839
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295411 (current)	2024-10-10	cif/ Adding structures of 1572840, 1572841, 1572842, 1572843, 1572844, 1572845, 1572846, 1572847, 1572848, 1572849, 1572850, 1572851, 1572852, 1572853 via cif-deposit CGI script.	1572852.cif