Information card for entry 1519984

Structure parameters

• Chemical name: Toluidinium fumarate
• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N O4
• Title of publication: Toluidinium fumarate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 563
• a: 9.2008 ± 0.0003 Å
• b: 23.6311 ± 0.001 Å
• c: 10.4061 ± 0.0004 Å
• α: 90°
• β: 95.173 ± 0.003°
• γ: 90°
• Cell volume: 2253.33 ± 0.15 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No