Information card for entry 2212005

Structure parameters

• Chemical name: 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)- carbazole-2,1''(4''H)-dione
• Formula: C33 H26 N2 O2
• Calculated formula: C33 H26 N2 O2
• SMILES: [C@@]12([C@]3([C@H](CN2C)c2ccccc2)CCc2c4ccccc4[nH]c2C3=O)C(=O)c2cccc3cccc1c23.[C@]12([C@@]3([C@@H](CN2C)c2ccccc2)CCc2c4ccccc4[nH]c2C3=O)C(=O)c2cccc3cccc1c23
• Title of publication: 1'-Methylacenapthylene-1(2<i>H</i>)-spiro-2'-pyrrolidine-3'-spiro-2''(3''<i>H</i>)-carbazole-2,1''(4''<i>H</i>)-dione
• Authors of publication: B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; G. Periyasami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o843 - o845
• a: 9.2279 ± 0.0006 Å
• b: 21.9358 ± 0.0013 Å
• c: 12.7618 ± 0.0008 Å
• α: 90°
• β: 103.163 ± 0.001°
• γ: 90°
• Cell volume: 2515.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes