Information card for entry 2200305

Structure parameters

• Chemical name: 9-(4-Methyl-benzylidene)-4,8-diphenyl-6-p-tolyl-2-oxa- 3,7-diazaspiro[4.4]nona-3,7-dien-1-one
• Formula: C33 H26 N2 O2
• Calculated formula: C33 H26 N2 O2
• SMILES: C1(=O)[C@@]2(C(=NO1)c1ccccc1)[C@H](N=C(C\2=C\c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)C.C1(=O)[C@]2(C(=NO1)c1ccccc1)[C@@H](N=C(C\2=C\c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: 9-(4-Methylbenzylidene)-4,8-diphenyl-6-<i>p</i>-tolyl-2-oxa-3,7-diazaspiro[4.4]nona-3,7-dien-1-one
• Authors of publication: Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o396 - o398
• a: 10.909 ± 0.003 Å
• b: 18.502 ± 0.007 Å
• c: 13.092 ± 0.004 Å
• α: 90°
• β: 97.143 ± 0.012°
• γ: 90°
• Cell volume: 2622 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1629
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes