Information card for entry 1540557

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: 10.1868 ± 0.0007 Å
• b: 18.7141 ± 0.0013 Å
• c: 20.7566 ± 0.0015 Å
• α: 70.748 ± 0.002°
• β: 86.972 ± 0.002°
• γ: 76.006 ± 0.002°
• Cell volume: 3623.3 ± 0.4 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 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: 0.2179
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No