Crystallography Open Database

Information card for entry 4105851

Preview

Coordinates	4105851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 Cl2 N O Pt
Calculated formula	C17 H25 Cl2 N O Pt
SMILES	[Pt]1(Cl)(Cl)([n]2c(cc(cc2C)C)C)[CH]2CCCC(=O)CCC[CH]1=2
Title of publication	Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate
Authors of publication	Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	1754 - 1756
a	6.716 ± 0.004 Å
b	10.752 ± 0.006 Å
c	26.541 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	1916.5 ± 1.9 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
178804 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/58.	4105851.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105851.cif
52623	2012-04-12	../uploads/cif-deposit/cod/cif Adding structures of 4105851 via cif-deposit CGI script.	4105851.cif