Information card for entry 1519952

Structure parameters

• Chemical name: 1-Butylammonium fumarate
• Formula: C8 H15 N O4
• Calculated formula: C8 H15 N O4
• Title of publication: 1-Butylammonium fumarate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 562
• a: 9.2652 ± 0.0006 Å
• b: 10.5292 ± 0.001 Å
• c: 10.5973 ± 0.001 Å
• α: 105.47 ± 0.05°
• β: 99.121 ± 0.005°
• γ: 93.957 ± 0.005°
• Cell volume: 977 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No