Information card for entry 4506036

Structure parameters

• Formula: C58 H73 Cl5 N10 O27
• Calculated formula: C58 H65 Cl5 N10 O27
• Title of publication: Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors
• Authors of publication: Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2097
• a: 20.4226 ± 0.0015 Å
• b: 18.5996 ± 0.0014 Å
• c: 20.1705 ± 0.0015 Å
• α: 90°
• β: 117.501 ± 0.002°
• γ: 90°
• Cell volume: 6796 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No