Information card for entry 7220316

Structure parameters

• Chemical name: N, N-diisopropylpropan-1-ammonium perchlorate
• Formula: C9 H22 Cl N O4
• Calculated formula: C9 H22 Cl N O4
• SMILES: [NH+](CCC)(C(C)C)C(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: High temperature phase transitions in N,N-diisopropylpropan-1-ammonium perchlorate
• Authors of publication: Wang, Wen-Xiang; Huang, Yao
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 3783
• a: 16.126 ± 0.003 Å
• b: 8.7468 ± 0.0017 Å
• c: 9.3691 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1321.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No