Crystallography Open Database

Information card for entry 7155006

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Structure parameters

Formula	C15 H11 N O
Calculated formula	C15 H11 N O
SMILES	[nH]1c2ccccc2cc(c2ccccc2)c1=O
Title of publication	Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.
Authors of publication	Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	14
Pages of publication	3591 - 3602
a	17.859 ± 0.0016 Å
b	5.8124 ± 0.0004 Å
c	21.742 ± 0.002 Å
α	90°
β	106.101 ± 0.01°
γ	90°
Cell volume	2168.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.054
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155006.cif
181801	2016-04-05	cif/ Updating files of 7155004, 7155005, 7155006, 7155007, 7155008, 7155009, 7155010 Original log message: Adding full bibliography for 7155004--7155010.cif.	7155006.cif
177279	2016-03-04	cif/ Adding structures of 7155004, 7155005, 7155006, 7155007, 7155008, 7155009, 7155010 via cif-deposit CGI script.	7155006.cif