Information card for entry 7241578

Structure parameters

• Common name: bis-hexamethylenetetramine succinic acid
• Formula: C16 H30 N8 O4
• Calculated formula: C16 H30 N8 O4
• Title of publication: Crystallisation of organic salts by sublimation: salt formation from the gas phase
• Authors of publication: Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 45
• Pages of publication: 7826 - 7831
• a: 21.654 ± 0.003 Å
• b: 6.948 ± 0.001 Å
• c: 25.748 ± 0.004 Å
• α: 90°
• β: 101.148 ± 0.002°
• γ: 90°
• Cell volume: 3800.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No