Information card for entry 2014491

Structure parameters

• Chemical name: 3-Bromo-1,7,9-triphenyl-4-p-tolyl-1,2,7,8-tetraazaspiro[4.4]nona-2,8-dien-6-one
• Formula: C30 H22.89 Br1.11 N4 O
• Calculated formula: C30 H22.89 Br1.11 N4 O
• Title of publication: Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives
• Authors of publication: Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o879 - o883
• a: 10.107 ± 0.001 Å
• b: 13.578 ± 0.003 Å
• c: 19.146 ± 0.003 Å
• α: 90°
• β: 98.5 ± 0.01°
• γ: 90°
• Cell volume: 2598.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No