Information card for entry 4132423

Structure parameters

• Formula: C64 H76 Si4
• Calculated formula: C64 H76 Si4
• 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: 17.765 ± 0.002 Å
• b: 19.556 ± 0.002 Å
• c: 34.096 ± 0.004 Å
• α: 91.567 ± 0.007°
• β: 102.628 ± 0.004°
• γ: 94.744 ± 0.002°
• Cell volume: 11507 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No