Crystallography Open Database

Information card for entry 7219402

7219401 << 7219402 >> 7219403

Preview

Coordinates	7219402.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4a
Formula	C19 H20 N2 Se
Calculated formula	C19 H20 N2 Se
SMILES	[Se]=C1N(C=CN1c1c(cccc1C)C)c1c(cccc1C)C
Title of publication	Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers
Authors of publication	Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar
Journal of publication	RSC Adv.
Year of publication	2015
a	8.3877 ± 0.0014 Å
b	7.4849 ± 0.0014 Å
c	13.728 ± 0.002 Å
α	90°
β	98.462 ± 0.015°
γ	90°
Cell volume	852.5 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.061601
Residual factor for significantly intense reflections	0.045226
Weighted residual factors for all reflections included in the refinement	0.146383
Goodness-of-fit parameter for all reflections included in the refinement	1.0363
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219402.cif
130130	2015-01-27	cif/ Adding structures of 7219396, 7219397, 7219398, 7219399, 7219400, 7219401, 7219402, 7219403, 7219404, 7219405, 7219406 via cif-deposit CGI script.	7219402.cif