Information card for entry 7215756

Structure parameters

• Formula: C9 H17 N5 O2
• Calculated formula: C9 H17 N5 O2
• Title of publication: Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling
• Authors of publication: Jones, P. G.; Taouss, Christina
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 8.0772 ± 0.0003 Å
• b: 7.2986 ± 0.0003 Å
• c: 20.4169 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1203.62 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No