Crystallography Open Database

Information card for entry 7157602

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Coordinates	7157602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N4 O2
Calculated formula	C34 H32 N4 O2
Title of publication	Denitrative imino-diaza-Nazarov cyclization: synthesis of pyrazoles.
Authors of publication	Aegurla, Balakrishna; Jarwal, Nisha; Peddinti, Rama Krishna
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	31
Pages of publication	6100 - 6107
a	12.4739 ± 0.0014 Å
b	7.4371 ± 0.0008 Å
c	16.2909 ± 0.0019 Å
α	90°
β	110.59 ± 0.005°
γ	90°
Cell volume	1414.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	0.597
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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