Information card for entry 2211217

Structure parameters

• Formula: C37 H31 N3 O2
• Calculated formula: C37 H31 N3 O2
• SMILES: O(c1ccc([C@H]2C(=NN([C@]32N(c2ccccc2)Cc2ccccc2C3=O)c2ccccc2)c2ccc(cc2)C)cc1)C.O(c1ccc([C@@H]2C(=NN([C@@]32N(c2ccccc2)Cc2ccccc2C3=O)c2ccccc2)c2ccc(cc2)C)cc1)C
• Title of publication: 4-<i>p</i>-Anisyl-1,2'-diphenyl-3-<i>p</i>-tolyl-2',3'-dihydrospiro[2-pyrazoline-5,3'-isoquinolin]-4'(1'<i>H</i>)-one
• Authors of publication: Mehmet Akkurt; Sema Öztürk Yıldırım; Rahima Badri; Abdelali Kerbal; Taibi Ben Hadda; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5022 - o5023
• a: 11.6063 ± 0.0007 Å
• b: 14.8988 ± 0.0006 Å
• c: 19.4799 ± 0.0011 Å
• α: 90°
• β: 121.552 ± 0.004°
• γ: 90°
• Cell volume: 2870.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.074
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes