Crystallography Open Database

Information card for entry 4037880

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Structure parameters

Formula	C19 H20 N2 O2 S
Calculated formula	C19 H20 N2 O2 S
SMILES	S(=O)(=O)(Nc1c(Cc2n(ccc2)C)cccc1)c1ccc(cc1)C
Title of publication	Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.
Authors of publication	Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	10.6946 ± 0.0004 Å
b	9.1589 ± 0.0004 Å
c	18.4833 ± 0.0009 Å
α	90°
β	99.212 ± 0.004°
γ	90°
Cell volume	1787.1 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0996
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4037880.cif
247858	2020-02-05	cif/ Adding structures of 4037880 via cif-deposit CGI script.	4037880.cif