Crystallography Open Database

Information card for entry 7220229

7220228 << 7220229 >> 7220230

Preview

Structure parameters

Formula	C31 H32 N2 O3
Calculated formula	C31 H32 N2 O3
SMILES	O=C1C2=C(N(CCCC)C3=C(C42C(=O)N(CC)c2ccccc42)C(=O)c2ccccc32)CC(C)(C)C1
Title of publication	Magnetically separable Fe3O4-SO3H nanoparticles as an efficient solid acid support for the facile synthesis of two types of spiroindole fused dihydropyridine derivatives under solvent free conditions
Authors of publication	Pramanik, Animesh; Debnath, Kamalesh; Singha, Krishnadipti
Journal of publication	RSC Adv.
Year of publication	2015
a	8.866 ± 0.002 Å
b	27.561 ± 0.006 Å
c	10.836 ± 0.003 Å
α	90°
β	103.074 ± 0.004°
γ	90°
Cell volume	2579.2 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1421
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	0.863
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220229.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.	7220229.cif
135771	2015-05-08	cif/ Adding structures of 7220229, 7220230 via cif-deposit CGI script.	7220229.cif