Information card for entry 2104330

Structure parameters

• Formula: C30 H32 Cl3 N O8
• Calculated formula: C30 H32 Cl3 N O8
• Title of publication: An aza-cyclophane stacked in racemic columnar assemblies: whole-molecule disorder in a two-dimensional solid solution
• Authors of publication: Zeller, Matthias; Lutz Jr, Marlon R.; Becker, Daniel P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: 223 - 229
• a: 16.7247 ± 0.0018 Å
• b: 15.707 ± 0.0016 Å
• c: 11.2154 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2946.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes