Crystallography Open Database

Information card for entry 4107267

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Structure parameters

Formula	C24 H22 N2 O3
Calculated formula	C24 H22 N2 O3
SMILES	O1N(c2ccccc2)CC(=C(OC(=O)c2ccccc2)C1Nc1ccccc1)C
Title of publication	Gold-Catalyzed Formal [3 + 3] and [4 + 2] Cycloaddition Reactions of Nitrosobenzenes with Alkenylgold Carbenoids
Authors of publication	Vinayak Vishnu Pagar; Appaso Mahadev Jadhav; Rai-Shung Liu
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20728 - 20731
a	18.1039 ± 0.001 Å
b	10.4762 ± 0.0006 Å
c	22.3799 ± 0.0012 Å
α	90°
β	99.242 ± 0.001°
γ	90°
Cell volume	4189.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0657
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4107267.cif
178818	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 4/10/72.	4107267.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107267.cif
54919	2012-04-30	cif/ Adding structures of 4107267 via cif-deposit CGI script.	4107267.cif