Information card for entry 2223069

Structure parameters

• Chemical name: 7α,15α-Dibromo-8,16-diphenyl-6,7,14,15-tetrahydro-6α,14α- epithiocycloocta[1,2-<i>b</i>:5,6-<i>b</i>']diquinoline deuterochloroform solvate
• Formula: C35 H22 Br2 Cl3 D N2 S
• Calculated formula: C35 H22 Br2 Cl3 D N2 S
• Title of publication: 7α,15α-Dibromo-8,16-diphenyl-6,7,14,15-tetrahydro-6α,14α-epithiocycloocta[1,2-<i>b</i>:5,6-<i>b</i>']diquinoline deuterochloroform solvate
• Authors of publication: Chan, Isa Y. H.; Bishop, Roger; Craig, Donald C.; Bhadbhade, Mohan M.; Scudder, Marcia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2253
• a: 10.161 ± 0.004 Å
• b: 10.246 ± 0.005 Å
• c: 15.868 ± 0.006 Å
• α: 93.88 ± 0.03°
• β: 99.43 ± 0.03°
• γ: 92.5 ± 0.03°
• Cell volume: 1623.4 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes