Information card for entry 2016964

Structure parameters

• Common name: Bis(trimethoprim) DL-malate
• Chemical name: Bis[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium] DL-malate
• Formula: C32 H42 N8 O11
• Calculated formula: C32 H42 N8 O11
• Title of publication: Bis[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium] <small>DL</small>-malate
• Authors of publication: Franklin, S.; Balasubramanian, T.; Varghese, Babu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o62 - o65
• a: 12.985 ± 0.0003 Å
• b: 9.3038 ± 0.0002 Å
• c: 15.6815 ± 0.0003 Å
• α: 90°
• β: 111.065 ± 0.001°
• γ: 90°
• Cell volume: 1767.88 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0502
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes