Information card for entry 4505297

Structure parameters

• Formula: C98 H134 Cl4
• Calculated formula: C98 H134 Cl2.802
• Title of publication: Molecular Compasses and Gyroscopes: Engineering Molecular Crystals with Fast Internal Rotation
• Authors of publication: Khuong, Tinh-Alfredo V.; Zepeda, Gerardo; Ruiz, Rebecca; Khan, Saeed I.; Garcia-Garibay, Miguel A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 15
• a: 10.718 ± 0.002 Å
• b: 45.123 ± 0.01 Å
• c: 19.208 ± 0.004 Å
• α: 90°
• β: 101.884 ± 0.004°
• γ: 90°
• Cell volume: 9090 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.2799
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.3018
• Weighted residual factors for all reflections included in the refinement: 0.3695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No