Crystallography Open Database

Information card for entry 7112535

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Structure parameters

Formula	C23 H21 N O
Calculated formula	C23 H21 N O
SMILES	O=C(/C=C(/CN(c1ccccc1)c1ccccc1)C)c1ccccc1
Title of publication	Visible-light-mediated addition of α-aminoalkyl radicals generated from α-silylamines to α,β-unsaturated carbonyl compounds.
Authors of publication	Miyake, Yoshihiro; Ashida, Yuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2012
Journal volume	48
Journal issue	55
Pages of publication	6966 - 6968
a	17.419 ± 0.007 Å
b	10.587 ± 0.005 Å
c	9.567 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1764.3 ± 1.3 Å³
Cell temperature	183 K
Ambient diffraction temperature	183 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112535.cif
180239	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112535.cif
110807	2014-04-20	cif/ Adding structures of 7112535 via cif-deposit CGI script.	7112535.cif