Information card for entry 2232367

Structure parameters

• Chemical name: 4-(1,3-Diphenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-yl)-1,3-diphenyl-1<i>H</i>- pyrazole
• Formula: C30 H24 N4
• Calculated formula: C30 H24 N4
• SMILES: n1(nc(c(C2N(N=C(c3ccccc3)C2)c2ccccc2)c1)c1ccccc1)c1ccccc1
• Title of publication: 4-(1,3-Diphenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-yl)-1,3-diphenyl-1<i>H</i>-pyrazole
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2822 - o2823
• a: 10.7841 ± 0.0005 Å
• b: 11.0582 ± 0.0006 Å
• c: 21.482 ± 0.0009 Å
• α: 90°
• β: 113.359 ± 0.002°
• γ: 90°
• Cell volume: 2351.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes