Crystallography Open Database

Information card for entry 7220704

7220703 << 7220704 >> 7220705

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Structure parameters

Formula	C23 H20 Cl N3 O2
Calculated formula	C23 H20 Cl N3 O2
SMILES	Clc1ccc(c2n(c3ccc(C)cc3)c(c(C(=O)C)c2[C@@H](C(=O)N)C#N)C)cc1
Title of publication	Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions
Authors of publication	Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis
Journal of publication	RSC Adv.
Year of publication	2015
a	10.094 ± 0.0018 Å
b	11.275 ± 0.002 Å
c	17.835 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2029.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1034
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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.	7220704.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.	7220704.cif
138982	2015-06-09	cif/ Adding structures of 7220702, 7220703, 7220704, 7220705 via cif-deposit CGI script.	7220704.cif