Crystallography Open Database

Information card for entry 7111726

Preview

Coordinates	7111726.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6-KetoMes-NH3
Formula	C24.5 H32 Cl N3 O2
Calculated formula	C24.5 H32 Cl N3 O2
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	15.7619 ± 0.0011 Å
b	25.7674 ± 0.0018 Å
c	11.6636 ± 0.0009 Å
α	90°
β	92.97 ± 0.002°
γ	90°
Cell volume	4730.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111726.cif
96753	2014-01-29	cif/ Adding structures of 7111724, 7111725, 7111726, 7111727, 7111728 via cif-deposit CGI script.	7111726.cif