Information card for entry 1540555

Structure parameters

• Formula: C40 H56 B P
• Calculated formula: C40 H56 B P
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)[P+](CCCC)(CCCC)CCCC
• Title of publication: Shape-memory effect in an organosuperelastic crystal
• Authors of publication: Takamizawa, Satoshi; Takasaki, Yuichi
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1527
• a: 10.5582 ± 0.0011 Å
• b: 19.131 ± 0.002 Å
• c: 20.915 ± 0.002 Å
• α: 68.892 ± 0.002°
• β: 85.501 ± 0.003°
• γ: 77.175 ± 0.002°
• Cell volume: 3842.8 ± 0.7 ų
• Cell temperature: 394 K
• Ambient diffraction temperature: 394 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: 0.2774
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.266
• Weighted residual factors for all reflections included in the refinement: 0.3982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No