Crystallography Open Database

Information card for entry 7220213

7220212 << 7220213 >> 7220214

Preview

Coordinates	7220213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N3 O3
Calculated formula	C17 H15 N3 O3
SMILES	O=C1C2(C(=C(OC(=C2C#N)N)C)C(=O)C)c2ccccc2N1C
Title of publication	Biocatalytic one-pot three-component synthesis of 3,3’-disubstituted oxindoles and spirooxindole pyrans using α-amylase from hog pancreas
Authors of publication	He, Tao; Zeng, Qingqing; yang, Dacheng; He, Yanhong; Guan, Zhi
Journal of publication	RSC Adv.
Year of publication	2015
a	8.82662 ± 0.00014 Å
b	27.6395 ± 0.0004 Å
c	13.1668 ± 0.0002 Å
α	90°
β	105.916 ± 0.0017°
γ	90°
Cell volume	3089.08 ± 0.09 Å³
Cell temperature	288.02 ± 0.1 K
Ambient diffraction temperature	288.02 ± 0.1 K
Number of distinct elements	4
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	0.0663
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1714
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation probe	x-ray
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
193656 (current)	2017-03-04	cif/7: Fixing Z values and formulae	7220213.cif
135765	2015-05-08	cif/ Adding structures of 7220212, 7220213 via cif-deposit CGI script.	7220213.cif