Crystallography Open Database

Information card for entry 7222375

Preview

Coordinates	7222375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 I N5 O2
Calculated formula	C15 H10 I N5 O2
SMILES	Ic1cc2[C@]3(C(=C(Oc4[nH]nc(C)c34)N)C#N)C(=O)Nc2cc1
Title of publication	ZrO2 nanoparticles as a reusable solid dual acid-base catalyst for facile one-pot synthesis of multi-functionalized spirooxindole derivatives under solvent free condition
Authors of publication	Pramanik, Animesh; Bodhak, Chandan; Kundu, Ashis
Journal of publication	RSC Adv.
Year of publication	2015
a	7.6342 ± 0.0005 Å
b	9.4462 ± 0.0006 Å
c	12.1984 ± 0.0007 Å
α	80.301 ± 0.003°
β	73.647 ± 0.003°
γ	71.635 ± 0.003°
Cell volume	798.02 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222375.cif
159084	2015-10-01	cif/ Adding structures of 7222374, 7222375 via cif-deposit CGI script.	7222375.cif