Information card for entry 2200306

Structure parameters

• Chemical name: 9-(2-Methoxy-benzylidene)-6-(2-methoxy-phenyl)-4,8-diphenyl-2-oxa- 3,7-diazaspiro[4.4]nona-3,7-dien-1-one
• Formula: C33 H26 N2 O4
• Calculated formula: C33 H26 N2 O4
• SMILES: O1N=C([C@]2(C1=O)[C@H](N=C(C2=Cc1ccccc1OC)c1ccccc1)c1ccccc1OC)c1ccccc1.O1N=C([C@@]2(C1=O)[C@@H](N=C(C2=Cc1ccccc1OC)c1ccccc1)c1ccccc1OC)c1ccccc1
• Title of publication: 9-(2-Methoxybenzylidene)-6-(2-methoxyphenyl)-4,8-diphenyl-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: o399 - o401
• a: 9.127 ± 0.002 Å
• b: 10.45 ± 0.003 Å
• c: 14.632 ± 0.003 Å
• α: 99.172 ± 0.019°
• β: 101.131 ± 0.017°
• γ: 101.239 ± 0.018°
• Cell volume: 1314.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes