Crystallography Open Database

Information card for entry 7219228

7219227 << 7219228 >> 7219229

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Structure parameters

Formula	C20 H21 N O4
Calculated formula	C20 H21 N O4
SMILES	O=C1C(=C(NC2CCCCC2)CC1)C1(O)C(=O)c2ccccc2C1=O
Title of publication	Synthesis of indeno and acenaphtho core containing dihydroxy indolone, pyrrole, coumarin and uracil fused heterocyclic motifs under sustainable condition exploring the catalytic role of SnO2 quantum dot
Authors of publication	Das, Asish R.; Pradhan, Koyel; Paul, Sanjay
Journal of publication	RSC Adv.
Year of publication	2015
a	8.4783 ± 0.0014 Å
b	13.296 ± 0.002 Å
c	15.679 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1767.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	0.784
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219228.cif
180523	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219228.cif
129424	2015-01-07	cif/ Adding structures of 7219227, 7219228 via cif-deposit CGI script.	7219228.cif