Information card for entry 1540556

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: 12.1401 ± 0.0014 Å
• b: 36.975 ± 0.004 Å
• c: 17.688 ± 0.002 Å
• α: 90°
• β: 102.611 ± 0.002°
• γ: 90°
• Cell volume: 7748.2 ± 1.5 ų
• Cell temperature: 403 K
• Ambient diffraction temperature: 403 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.443
• Residual factor for significantly intense reflections: 0.1668
• Weighted residual factors for significantly intense reflections: 0.4463
• Weighted residual factors for all reflections included in the refinement: 0.5654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No