Crystallography Open Database

Information card for entry 7217292

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Structure parameters

Common name	1-(4-Fluoro-phenyl)-3-phenyl-1,5,6,7-tedrahydro-indol-4-one
Formula	C20 H16 F N O
Calculated formula	C20 H16 F N O
SMILES	Fc1ccc(n2c3CCCC(=O)c3c(c2)c2ccccc2)cc1
Title of publication	Synthesis of substituted 1,3-diaryl-6,7-dihydro-1H-indol-4(5H)-ones from 1-aryl-2-arylaminoethanones
Authors of publication	Kaladevi, Selvam; Sridhar, Jeyaraman; Abhilashamole, Brahmanandan; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Journal of publication	RSC Advances
Year of publication	2014
a	10.984 ± 0.002 Å
b	12.777 ± 0.003 Å
c	11.583 ± 0.003 Å
α	90°
β	113.488 ± 0.002°
γ	90°
Cell volume	1490.9 ± 0.6 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7217292.cif
180503	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72.	7217292.cif
121057	2014-08-01	cif/ Adding structures of 7217292 via cif-deposit CGI script.	7217292.cif