Information card for entry 1540554

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: 10.311 ± 0.003 Å
• b: 18.895 ± 0.005 Å
• c: 20.77 ± 0.006 Å
• α: 69.618 ± 0.007°
• β: 85.946 ± 0.007°
• γ: 76.898 ± 0.006°
• Cell volume: 3694.3 ± 1.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.2319
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.3496
• Weighted residual factors for all reflections included in the refinement: 0.4207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No