Crystallography Open Database

Information card for entry 7702056

7702055 << 7702056 >> 7702057

Preview

Coordinates	7702056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N2 O3 Se
Calculated formula	C14 H18 N2 O3 Se
Title of publication	Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.
Authors of publication	Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	15
Pages of publication	6456 - 6465
a	7.6495 ± 0.0003 Å
b	12.469 ± 0.0005 Å
c	16.5823 ± 0.0006 Å
α	90°
β	92.492 ± 0.003°
γ	90°
Cell volume	1580.15 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0514
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.0692
Diffraction radiation probe	x-ray
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
233452 (current)	2019-11-23	cif/ Adding structures of 7702050, 7702051, 7702052, 7702053, 7702054, 7702055, 7702056 via cif-deposit CGI script.	7702056.cif