Information card for entry 7121730

Structure parameters

• Common name: methylpropylamine
• Chemical name: methylpropylamine
• Formula: C4 H11 N
• Calculated formula: C4 H11 N
• Title of publication: The simplest supramolecular helix.
• Authors of publication: Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 6012 - 6015
• a: 15.168 ± 0.015 Å
• b: 8.902 ± 0.008 Å
• c: 15.176 ± 0.015 Å
• α: 90°
• β: 90.67 ± 0.02°
• γ: 90°
• Cell volume: 2049 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.261
• Weighted residual factors for all reflections included in the refinement: 0.292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No