Crystallography Open Database

Information card for entry 7111724

Preview

Coordinates	7111724.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6-KetoMes-HCl
Formula	C24 H29 Cl N2 O2
Calculated formula	C24 H29 Cl N2 O2
SMILES	ClC1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C
Title of publication	Ammonia N‒H activation by a N,N′-diamidocarbene
Authors of publication	Hudnall, Todd W.; Moerdyk, Jonathan P.; Bielawski, Christopher W.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4288 - 4290
a	8.3918 ± 0.0012 Å
b	17.082 ± 0.002 Å
c	15.992 ± 0.002 Å
α	90°
β	102.394 ± 0.002°
γ	90°
Cell volume	2239 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0608
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1696
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111724.cif
96753	2014-01-29	cif/ Adding structures of 7111724, 7111725, 7111726, 7111727, 7111728 via cif-deposit CGI script.	7111724.cif