Crystallography Open Database

Information card for entry 4066096

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Structure parameters

Formula	C15 H15 N Se
Calculated formula	C15 H15 N Se
SMILES	[Se]=CN(Cc1ccccc1)Cc1ccccc1
Title of publication	(Selenocarbamoyl)silanes and -germanes: Their Synthesis Using (Selenocarbamoyl)lithium and Characterization
Authors of publication	Murai, Toshiaki; Hori, Rumi; Maruyama, Toshifumi; Shibahara, Fumitoshi
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	11
Pages of publication	2400
a	10.785 ± 0.007 Å
b	9.856 ± 0.006 Å
c	25.027 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	2660 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4066096.cif
178504	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/60.	4066096.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066096.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066096.cif
33786	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066096, 4066097, 4066098 via cif-deposit CGI script.	4066096.cif