Information card for entry 2236994

Structure parameters

• Chemical name: 4'-Methyl-1<i>H</i>-14',19'-dioxa-4'-azaspiro[indole-3,5'- tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'- hexaene-2,7'(3<i>H</i>)-dione
• Formula: C29 H28 N2 O4
• Calculated formula: C29 H28 N2 O4
• SMILES: C1[C@@H]2[C@@H]([C@@]3(C(=O)Nc4ccccc34)N1C)C(=O)c1ccccc1OCCCCOc1ccccc21.C1[C@H]2[C@H]([C@]3(C(=O)Nc4ccccc34)N1C)C(=O)c1ccccc1OCCCCOc1ccccc21
• Title of publication: 4'-Methyl-1<i>H</i>-14',19'-dioxa-4'-azaspiro[indole-3,5'-tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'-hexaene-2,7'(3<i>H</i>)-dione
• Authors of publication: Narayanan, Sibi; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3344
• a: 9.4223 ± 0.0003 Å
• b: 10.5115 ± 0.0003 Å
• c: 14.1754 ± 0.0005 Å
• α: 70.235 ± 0.002°
• β: 87.309 ± 0.003°
• γ: 69.065 ± 0.002°
• Cell volume: 1229.67 ± 0.07 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: 0.0723
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes