Information card for entry 4030375

Structure parameters

• Formula: C14 H24 N2 O
• Calculated formula: C14 H24 N2 O
• SMILES: [C@@H]1([C@@H](CC[C@H](C1)C)C(C)C)OCn1ccnc1
• Title of publication: Symmetrical Imidazolium Chloride Based on (-)-Menthol: Synthesis, Characterization, and Theoretical Model of the Reaction.
• Authors of publication: Feder-Kubis, Joanna; Szefczyk, Borys; Kubicki, Maciej
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 237
• a: 6.2999 ± 0.0011 Å
• b: 7.7215 ± 0.0012 Å
• c: 14.823 ± 0.002 Å
• α: 90°
• β: 95.614 ± 0.013°
• γ: 90°
• Cell volume: 717.6 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No