Information card for entry 2221099

Structure parameters

• Chemical name: <i>tert</i>-Butylaminium phosphite
• Formula: C4 H14 N O3 P
• Calculated formula: C4 H14 N O3 P
• SMILES: P(=O)(O)[O-].[NH3+]C(C)(C)C
• Title of publication: <i>tert</i>-Butylaminium phosphite
• Authors of publication: Jian, Fang-Fang; Zhang, Jun-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o639
• a: 7.621 ± 0.002 Å
• b: 6.561 ± 0.002 Å
• c: 17.545 ± 0.005 Å
• α: 90°
• β: 111.1 ± 0.03°
• γ: 90°
• Cell volume: 818.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No