Information card for entry 2236636

Structure parameters

• Common name: (1<i>S</i>,8<i>R</i>,15<i>S</i>,19<i>R</i>)-17-Benzyl-17- azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca- 2(7),3,5,9(14),10,12-hexaene chloroform monosolvate
• Formula: C26 H24 Cl3 N
• Calculated formula: C26 H24 Cl3 N
• SMILES: N1(C[C@@H]2C3c4ccccc4C(c4ccccc34)[C@@H]2C1)Cc1ccccc1.C(Cl)(Cl)Cl
• Title of publication: (1<i>S</i>,8<i>R</i>,15<i>S</i>,19<i>R</i>)-17-Benzyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate
• Authors of publication: Bratko, Ielyzaveta; Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2881
• a: 8.6455 ± 0.0002 Å
• b: 10.7338 ± 0.0003 Å
• c: 12.331 ± 0.0003 Å
• α: 90°
• β: 99.055 ± 0.001°
• γ: 90°
• Cell volume: 1130.04 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes