Information card for entry 2103827

Structure parameters

• Common name: urotropin azelate
• Formula: C15 H28 N4 O4
• Calculated formula: C15 H28 N4 O4
• Title of publication: Urotropin azelate: a rather unwilling co-crystal
• Authors of publication: Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, Henrik; Chapuis, Gervais; Möckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 72 - 86
• a: 9.4157 ± 0.0019 Å
• b: 26.124 ± 0.005 Å
• c: 7.2034 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1771.9 ± 0.6 ų
• Cell temperature: 286 ± 1 K
• Ambient diffraction temperature: 286 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No