Crystallography Open Database

Information card for entry 7238879

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Structure parameters

Formula	C28 H20 F3 N3 O
Calculated formula	C28 H20 F3 N3 O
Title of publication	l-Proline-catalyzed three-component domino reactions in the regioselective synthesis of novel densely functionalized pyrazolo[3,4-b]pyridines
Authors of publication	Gunasekaran, Pethaiah; Indumathi, Sethuraman; Perumal, Subbu
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	22
Pages of publication	8318
a	16.8695 ± 0.0014 Å
b	10.4525 ± 0.0008 Å
c	27.352 ± 0.003 Å
α	90°
β	103.47 ± 0.005°
γ	90°
Cell volume	4690.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7238879.cif
244441	2019-11-28	cif/ Adding structures of 7238879 via cif-deposit CGI script.	7238879.cif