Information card for entry 7124407

Structure parameters

• Formula: C45 H42 N4 O6
• Calculated formula: C45 H42 N4 O6
• Title of publication: Chirality Transfer in a Cage Controls the Clockwise / Anticlockwise Propeller Arrangement of the tris(2-pyridylmethyl)amine Ligand
• Authors of publication: Martinez, Alexandre; Qiu, Gege; Colomban, Cédric; Giorgi, Michel; Vanthuyne, Nicolas
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.0281 ± 0.0001 Å
• b: 18.2669 ± 0.0002 Å
• c: 20.2604 ± 0.0002 Å
• α: 90°
• β: 98.473 ± 0.001°
• γ: 90°
• Cell volume: 3670.84 ± 0.07 ų
• Cell temperature: 253 ± 0.1 K
• Ambient diffraction temperature: 253 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No