Crystallography Open Database

Information card for entry 7222374

Preview

Coordinates	7222374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18.5 N3 O3
Calculated formula	C22 H19 N3 O3
SMILES	O=C1N(CC#C)c2c(C31C1=C(OC(=C3C#N)N)CC(CC1=O)(C)C)cccc2
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	24.313 ± 0.012 Å
b	8.91 ± 0.005 Å
c	17.683 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3831 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	0.82
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7222374.cif
176428	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.	7222374.cif
159084	2015-10-01	cif/ Adding structures of 7222374, 7222375 via cif-deposit CGI script.	7222374.cif