Crystallography Open Database

Information card for entry 7218266

Preview

Coordinates	7218266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.25 H19.5 Cl1.5 N2 O5
Calculated formula	C21.25 H19.5 Cl1.5 N2 O5
Title of publication	Organocatalytic asymmetric vinylogous Michael addition of 3-alkylidene oxindoles to α-substituted β-nitroacrylates: Facile construction of chiral all-carbon quaternary center
Authors of publication	Zhong, Yuan; Ma, Shixiong; Xu, Zhaoqing; Chang, Min; Wang, Rui
Journal of publication	RSC Adv.
Year of publication	2014
a	14.3843 ± 0.0003 Å
b	9.8961 ± 0.0003 Å
c	28.9183 ± 0.0007 Å
α	90°
β	100.764 ± 0.002°
γ	90°
Cell volume	4044.05 ± 0.18 Å³
Cell temperature	292.1 ± 0.6 K
Ambient diffraction temperature	292.1 ± 0.6 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218266.cif
124258	2014-09-26	cif/ Adding structures of 7218266 via cif-deposit CGI script.	7218266.cif