Information card for entry 7108912

Structure parameters

• Formula: C15 H18 F6 N P
• Calculated formula: C15 H18 F6 N P
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1ccccc1[C@H]([NH2+]Cc1ccccc1)C
• Title of publication: Chirality transcription and amplification by [2]pseudorotaxanes
• Authors of publication: Shunsuke Kuwahara; Rie Chamura; Sho Tsuchiya; Mari Ikeda; Yoichi Habata
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 2186 - 2188
• a: 8.7662 ± 0.0006 Å
• b: 11.1969 ± 0.0007 Å
• c: 16.9395 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1662.68 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No