Information card for entry 2007203

Structure parameters

• Formula: C28 H20 N2 O
• Calculated formula: C28 H20 N2 O
• SMILES: N1=C(CC2(N1c1ccccc1)c1ccccc1C(=O)c1ccccc21)c1ccccc1
• Title of publication: 1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one
• Authors of publication: Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 629 - 630
• a: 11.188 ± 0.004 Å
• b: 13.672 ± 0.009 Å
• c: 27.352 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.1735
• Weighted residual factors for significantly intense reflections: 0.1634
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.183
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No