Information card for entry 4516260

Structure parameters

• Common name: Melamine
• Formula: C13 H20 N12
• Calculated formula: C13 H20 N12
• SMILES: n1c(nc(nc1N)N)N.c1(nc(nc(n1)N)N)N.Cc1ccccc1
• Title of publication: Solvent Dependent Structures of Melamine: Porous or Nonporous?
• Authors of publication: Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1871
• a: 12.2365 ± 0.0008 Å
• b: 12.2365 ± 0.0008 Å
• c: 24.574 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3679.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No