Information card for entry 7123220

Structure parameters

• Formula: C12 H30 Cl N4 O1.5
• Calculated formula: C12 H30 Cl N4 O1.5
• Title of publication: Synthesis of chiral nine and twelve-membered cyclic polyamines from natural building blocks
• Authors of publication: Müntener, Thomas; Thommen, Fabienne; Joss, Daniel; Kottelat, Jérémy; Prescimone, Alessandro; Häussinger, Daniel
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.0294 ± 0.0005 Å
• b: 14.6457 ± 0.0009 Å
• c: 12.718 ± 0.0007 Å
• α: 90°
• β: 106.439 ± 0.003°
• γ: 90°
• Cell volume: 1613.1 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8964
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No