Information card for entry 4503586

Structure parameters

• Formula: C42 H44 Cl6 O4
• Calculated formula: C42 H44 Cl6 O4
• Title of publication: Guest Control in the Self-Assembly of H-Shaped Host to Cyclopentanoid (5,43) Net
• Authors of publication: Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1471
• a: 9.992 ± 0.002 Å
• b: 18.203 ± 0.004 Å
• c: 12.043 ± 0.002 Å
• α: 90°
• β: 108.2 ± 0.03°
• γ: 90°
• Cell volume: 2080.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No