Information card for entry 7121735

Structure parameters

• Common name: methylethylamine
• Chemical name: methylethylamine
• Formula: C3 H9 N
• Calculated formula: C3 H9 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: 7.761 ± 0.005 Å
• b: 16.084 ± 0.013 Å
• c: 14.231 ± 0.012 Å
• α: 90°
• β: 99.851 ± 0.01°
• γ: 90°
• Cell volume: 1750 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1079
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No