Information card for entry 2236274

Structure parameters

• Chemical name: (3'<i>R</i>)-3'-Benzyl-2',3'-dihydro-1<i>H</i>-spiro[indole-3,1'- naphtho[2,3-<i>c</i>]pyrrole]-2,4',9'-trione
• Formula: C26 H18 N2 O3
• Calculated formula: C26 H18 N2 O3
• SMILES: O=C1C2=C(C(=O)c3c1cccc3)[C@]1(N[C@H]2Cc2ccccc2)c2ccccc2NC1=O.O=C1C2=C(C(=O)c3c1cccc3)[C@@]1(N[C@@H]2Cc2ccccc2)c2ccccc2NC1=O
• Title of publication: (3'<i>R</i>)-3'-Benzyl-2',3'-dihydro-1<i>H</i>-spiro[indole-3,1'-naphtho[2,3-<i>c</i>]pyrrole]-2,4',9'-trione
• Authors of publication: Sharma, Garima; Kumar, S. Vasanth; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2769 - o2770
• a: 10.2317 ± 0.0004 Å
• b: 26.2823 ± 0.0008 Å
• c: 7.8406 ± 0.0003 Å
• α: 90°
• β: 109.122 ± 0.002°
• γ: 90°
• Cell volume: 1992.1 ± 0.13 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.1204
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes