Crystallography Open Database

Information card for entry 4085611

Preview

Coordinates	4085611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 O3
Calculated formula	C19 H16 O3
SMILES	O1C(=O)C(=C2c3ccccc3[C@@H](OCC)[C@H]12)c1ccccc1
Title of publication	1,4- to 1,5-Homologation of Alkene-Carbene and Alkyne-Carbene Complexes of Chromium and Tungsten: The Clue to Reactivity
Authors of publication	Rudler, Henri; Parlier, Andrée; del Pilar Peregrina, Maria; Vaissermann, Jacqueline
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	1
Pages of publication	1 - 3
a	8.271 ± 0.003 Å
b	19.028 ± 0.006 Å
c	9.753 ± 0.0012 Å
α	90°
β	102.38 ± 0.02°
γ	90°
Cell volume	1499.2 ± 0.8 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1372
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for all reflections	0.1506
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.1113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085611.cif
133834	2015-03-12	cif/ Adding structures of 4085610, 4085611 via cif-deposit CGI script.	4085611.cif