Crystallography Open Database

Information card for entry 7059066

Preview

Coordinates	7059066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N3 Se
Calculated formula	C16 H15 N3 Se
Title of publication	Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions
Authors of publication	Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	1
Pages of publication	129 - 140
a	11.1018 ± 0.0003 Å
b	7.9784 ± 0.0002 Å
c	16.7114 ± 0.0005 Å
α	90°
β	92.665 ± 0.003°
γ	90°
Cell volume	1478.6 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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	0.0763
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.2073
Weighted residual factors for all reflections included in the refinement	0.2785
Goodness-of-fit parameter for all reflections included in the refinement	1.1782
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257689 (current)	2020-10-06	cif/ Updating files of 7059065, 7059066, 7059067, 7059068, 7059069, 7059070, 7059071, 7059072, 7059073 Original log message: Adding full bibliography for 7059065--7059073.cif.	7059066.cif
247772	2020-02-04	cif/ Updating files of 7059065, 7059066, 7059067, 7059068, 7059069, 7059070, 7059071, 7059072, 7059073 Original log message: Adding full bibliography for 7059065--7059073.cif.	7059066.cif
231071	2019-11-20	cif/ Adding structures of 7059065, 7059066, 7059067, 7059068, 7059069, 7059070, 7059071, 7059072, 7059073 via cif-deposit CGI script.	7059066.cif