Crystallography Open Database

Information card for entry 1511863

Preview

Structure parameters

Formula	C18 H15 N O2
Calculated formula	C18 H15 N O2
SMILES	O1c2c3ccccc3nc(c2CC1)c1ccc(OC)cc1
Title of publication	Ru-catalyzed synthesis of dihydrofuroquinolines from azido-cyclopropyl ketones.
Authors of publication	Yang, Weijun; Xu, Lijun; Chen, Zhengkai; Zhang, Lili; Miao, Maozhong; Ren, Hongjun
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	6
Pages of publication	1282 - 1285
a	12.8977 ± 0.0008 Å
b	7.2069 ± 0.0005 Å
c	15.0389 ± 0.0009 Å
α	90°
β	100.506 ± 0.006°
γ	90°
Cell volume	1374.47 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0614
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1511863.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1511863.cif
85760	2013-05-07	cif/ Adding structures of 1511863 via cif-deposit CGI script.	1511863.cif