Information card for entry 4106700

Structure parameters

• Formula: C8 H18 Cl N
• Calculated formula: C8 H18 Cl N
• SMILES: [NH2+]1CCC(CCC1)(C)C.[Cl-]
• Title of publication: Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel
• Authors of publication: Jun Wang; Chunlong Ma; Yibing Wu; Robert A. Lamb; Lawrence H. Pinto; William F. DeGrado
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13844 - 13847
• a: 14.2975 ± 0.0013 Å
• b: 7.2035 ± 0.0007 Å
• c: 9.9433 ± 0.0009 Å
• α: 90°
• β: 101.939 ± 0.004°
• γ: 90°
• Cell volume: 1001.93 ± 0.16 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No