Information card for entry 2235301

Structure parameters

• Chemical name: 1,1''-Bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'- [6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione
• Formula: C30 H32 N4 O2
• Calculated formula: C30 H32 N4 O2
• SMILES: C=CCN1c2ccccc2[C@]2(C1=O)N1CCC[C@@H]1[C@@H]1N([C@]32c2ccccc2N(C3=O)CC=C)CCC1.C=CCN1c2ccccc2[C@@]2(C1=O)N1CCC[C@H]1[C@H]1N([C@@]32c2ccccc2N(C3=O)CC=C)CCC1
• Title of publication: 1,1''-Bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione
• Authors of publication: Al Mamari, Khalil; Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1637
• a: 14.9484 ± 0.0002 Å
• b: 9.9173 ± 0.0001 Å
• c: 17.5713 ± 0.0003 Å
• α: 90°
• β: 111.119 ± 0.001°
• γ: 90°
• Cell volume: 2429.95 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes