Information card for entry 4501669

Structure parameters

• Chemical name: diethylcarbamazine citrate
• Formula: C16 H29 N3 O8
• Calculated formula: C16 H29 N3 O8
• Title of publication: Triple Structural Transition below Room Temperature in the Antifilarial Drug Diethylcarbamazine Citrate
• Authors of publication: da Silva, Cecilia C. P.; Martins, Felipe T.; Honorato, Sara B.; Boechat, Núbia; Ayala, Alejandro P.; Ellena, Javier
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3094
• a: 13.805 ± 0.0003 Å
• b: 10.2581 ± 0.0002 Å
• c: 13.989 ± 0.0003 Å
• α: 90°
• β: 93.689 ± 0.002°
• γ: 90°
• Cell volume: 1976.92 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0946
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No