Information card for entry 2103931

Structure parameters

• Formula: C13 H24 N4 O4
• Calculated formula: C13 H24 N4 O4
• Title of publication: Structural phases of hexamethylenetetramine‒pimelic acid (1/1): a unified description based on a stacking model
• Authors of publication: Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: 527 - 536
• a: 9.3962 ± 0.0019 Å
• b: 22.981 ± 0.005 Å
• c: 7.3338 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.6 ± 0.6 ų
• Cell temperature: 324 ± 1 K
• Ambient diffraction temperature: 324 ± 1 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: B m m b
• Hall space group symbol: -B 2b 2
• Residual factor for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.707
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes