Information card for entry 4512449

Structure parameters

• Formula: C24 H46 N2 O8
• Calculated formula: C24 H46 N2 O8
• Title of publication: Hydrogen-Bonded Displacive-Type Ferroelastic Phase Transition in a New Entangled Supramolecular Compound
• Authors of publication: Tang, Yuanyuan; Sun, Zhihua; Ji, Chengmin; Li, Lina; Zhang, Shuquan; Chen, Tianliang; Luo, Junhua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 457
• a: 9.0851 ± 0.0005 Å
• b: 12.8719 ± 0.0004 Å
• c: 12.9349 ± 0.0006 Å
• α: 100.258 ± 0.003°
• β: 90.572 ± 0.004°
• γ: 93.606 ± 0.004°
• Cell volume: 1485.17 ± 0.12 ų
• Cell temperature: 216 ± 2 K
• Ambient diffraction temperature: 216 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No