Crystallography Open Database

Information card for entry 4034776

Preview

Coordinates	4034776.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Z)-4-benzylidene-3-(4-chlorophenyl)-1-oxa-3-azaspiro[4.5]decan-2-one'
Formula	C21 H20 Cl N O2
Calculated formula	C21 H20 Cl N O2
Title of publication	Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.
Authors of publication	Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	24
Pages of publication	15186 - 15194
a	27.583 ± 0.002 Å
b	13.6001 ± 0.001 Å
c	10.2013 ± 0.001 Å
α	90°
β	104.589 ± 0.004°
γ	90°
Cell volume	3703.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0921
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
226299 (current)	2019-11-11	cif/ Adding structures of 4034776 via cif-deposit CGI script.	4034776.cif