Information card for entry 4510972

Structure parameters

• Formula: C18 H23 N5
• Calculated formula: C18 H23 N5
• SMILES: N(c1cc(cc(c1)C)C)/C(=N\C(=N\c1cc(cc(c1)C)C)N)N
• Title of publication: The Brønsted-Lowry Reaction Revisited: Glass-Forming Properties of Salts of 1,5-Dimexylbiguanide
• Authors of publication: Carvalho, Simão P.; Wang, Ruiyao; Wang, Haotian; Ball, Brian; Lebel, Olivier
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2734
• a: 14.3364 ± 0.0003 Å
• b: 7.5018 ± 0.0002 Å
• c: 16.4621 ± 0.0003 Å
• α: 90°
• β: 107.716 ± 0.001°
• γ: 90°
• Cell volume: 1686.52 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No