Information card for entry 7241575

Structure parameters

• Common name: hexamethylenetetramine succinic acid
• Formula: C10 H18 N4 O4
• Calculated formula: C10 H18 N4 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: 5.8215 ± 0.0008 Å
• b: 18.363 ± 0.002 Å
• c: 11.592 ± 0.002 Å
• α: 90°
• β: 100.266 ± 0.002°
• γ: 90°
• Cell volume: 1219.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No