Crystallography Open Database

Information card for entry 4079208

Preview

Coordinates	4079208.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7a
Chemical name	3-ethoxy-1,5-diphenyl-3H-benzo[c]azepine
Formula	C24 H21 N O
Calculated formula	C24 H21 N O
SMILES	O(C1N=C(c2c(C(=C1)c1ccccc1)cccc2)c1ccccc1)CC
Title of publication	Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes
Authors of publication	González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6572
a	10.758 ± 0.001 Å
b	13.473 ± 0.002 Å
c	13.518 ± 0.002 Å
α	90°
β	102.87 ± 0.01°
γ	90°
Cell volume	1910.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
178681 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/92.	4079208.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079208.cif
72356	2013-01-21	cif/ Adding structures of 4079207, 4079208, 4079209, 4079210, 4079211 via cif-deposit CGI script.	4079208.cif