Information card for entry 2209108

Structure parameters

• Chemical name: Acenapthene-2-spiro-5'-perhydrodipyrrole[1,2-a;2',1'-c]pyrazine-6'- spiro-2''-acenapthene-1,1''-dione
• Formula: C32 H26 N2 O2
• Calculated formula: C32 H26 N2 O2
• SMILES: N12[C@@]3([C@@]4(N5[C@H]([C@@H]2CCC1)CCC5)C(=O)c1cccc2cccc4c12)c1cccc2cccc(c12)C3=O.N12[C@]3([C@]4(N5[C@@H]([C@H]2CCC1)CCC5)C(=O)c1cccc2cccc4c12)c1cccc2cccc(c12)C3=O
• Title of publication: Acenapthene-2-spiro-5'-perhydrodipyrrolo[1,2-<i>a</i>;2',1'-<i>c</i>]pyrazine-6'-spiro-2''-acenapthene-1,1''-dione
• Authors of publication: S. Sugaleshini; D. Gayathri; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2432 - o2434
• a: 8.8721 ± 0.0007 Å
• b: 10.7042 ± 0.0008 Å
• c: 14.2846 ± 0.0011 Å
• α: 109.418 ± 0.001°
• β: 100.584 ± 0.001°
• γ: 102.447 ± 0.001°
• Cell volume: 1200.38 ± 0.16 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: 0.0522
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes