Crystallography Open Database

Information card for entry 7219734

7219733 << 7219734 >> 7219735

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Structure parameters

Common name	K6
Formula	C53 H47 Cl2 N5 O3
Calculated formula	C53 H47 Cl2 N5 O3
Title of publication	Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition
Authors of publication	Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM
Journal of publication	RSC Adv.
Year of publication	2015
a	11.4329 ± 0.0004 Å
b	13.7041 ± 0.0005 Å
c	15.7697 ± 0.0005 Å
α	66.387 ± 0.002°
β	82.782 ± 0.002°
γ	89.224 ± 0.002°
Cell volume	2244.11 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	0.674
Diffraction radiation wavelength	1.54178 Å
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.	7219734.cif
180528	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 7/21/97.	7219734.cif
133066	2015-03-05	cif/ Adding structures of 7219732, 7219733, 7219734, 7219735, 7219736 via cif-deposit CGI script.	7219734.cif