Crystallography Open Database

Information card for entry 7159825

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Coordinates	7159825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.54 H1.38 N0.46
Calculated formula	C1.53846 H1.38462 N0.461538
Title of publication	Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles.
Authors of publication	Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	12
Pages of publication	2384 - 2388
a	6.3402 ± 0.0003 Å
b	7.4033 ± 0.0003 Å
c	10.8259 ± 0.0004 Å
α	102.832 ± 0.004°
β	92.959 ± 0.003°
γ	114.223 ± 0.004°
Cell volume	445.98 ± 0.04 Å³
Cell temperature	107 ± 4 K
Ambient diffraction temperature	107 ± 4 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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