Information card for entry 2009718

Structure parameters

• Common name: ORG9768
• Chemical name: 2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride
• Formula: C11 H16 Cl N
• Calculated formula: C11 H16 Cl N
• SMILES: [Cl-].c12c(cccc1)CC(C2)(C)C[NH3+]
• Title of publication: 2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride
• Authors of publication: Barnes, John C.; Paton, John D.; Rae, Duncan; Cairns, James; Redpath, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 728 - 729
• a: 11.151 ± 0.002 Å
• b: 29.244 ± 0.004 Å
• c: 6.666 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2173.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections: 0.1768
• Weighted residual factors for significantly intense reflections: 0.1734
• Goodness-of-fit parameter for all reflections: 1.379
• Goodness-of-fit parameter for significantly intense reflections: 1.393
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No