Information card for entry 2235302

Structure parameters

• Chemical name: 5,5''-Dibromo-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 H30 Br2 N4 O2
• Calculated formula: C30 H30 Br2 N4 O2
• SMILES: Brc1ccc2c(c1)[C@]1(C(=O)N2CC=C)[C@]2(C(=O)N(c3c2cc(Br)cc3)CC=C)N2[C@H]([C@@H]3CCCN13)CCC2.Brc1ccc2c(c1)[C@@]1(C(=O)N2CC=C)[C@@]2(C(=O)N(c3c2cc(Br)cc3)CC=C)N2[C@@H]([C@H]3CCCN13)CCC2
• Title of publication: 5,5''-Dibromo-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: o1638
• a: 14.1658 ± 0.0003 Å
• b: 9.7203 ± 0.0002 Å
• c: 20.6677 ± 0.0003 Å
• α: 90°
• β: 100.037 ± 0.001°
• γ: 90°
• Cell volume: 2802.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0856
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes