Information card for entry 2006745

Structure parameters

• Chemical name: 11S,12S-trans-N,N'-di-t-butyl-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxamide. dimethyl sulfuroxide.hydrogen oxide (1:2:1)
• Formula: C30 H46 N2 O5 S2
• Calculated formula: C30 H46 N2 O5 S2
• Title of publication: Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts
• Authors of publication: Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1892 - 1895
• a: 10.004 ± 0.003 Å
• b: 9.966 ± 0.003 Å
• c: 32.06 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.4 ± 1.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for all reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections: 0
• Goodness-of-fit parameter for all reflections included in the refinement: 2.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No