Information card for entry 4132422

Structure parameters

• Formula: C153.55 H203.1 Cl3.1 Si8
• Calculated formula: C153.55 H203.1 Cl3.1 Si8
• Title of publication: Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.
• Authors of publication: Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 20
• Pages of publication: 6245 - 6248
• a: 14.0525 ± 0.0012 Å
• b: 33.864 ± 0.003 Å
• c: 30.643 ± 0.003 Å
• α: 90°
• β: 90.53 ± 0.004°
• γ: 90°
• Cell volume: 14582 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.1061
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2543
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No