Information card for entry 2104114

Structure parameters

• Chemical name: bis(23-carboxy-24-nor-5beta-cholan-3alpha-yl)terephtalate
• Formula: C66 H92 N2 O8
• Calculated formula: C66 H92 N2 O8
• Title of publication: Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments
• Authors of publication: Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: 383 - 392
• a: 6.8044 ± 0.0005 Å
• b: 12.887 ± 0.0009 Å
• c: 17.0661 ± 0.0011 Å
• α: 94.431 ± 0.006°
• β: 97.935 ± 0.006°
• γ: 97.341 ± 0.005°
• Cell volume: 1463.14 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No