Information card for entry 4510971

Structure parameters

• Formula: C42 H56 N10 O4
• Calculated formula: C42 H56 N10 O4
• SMILES: c1(cc(C)cc(c1)C)NC(=NC(=[NH+]c1cc(cc(c1)C)C)N)N.O=C(CCCCC(=O)[O-])[O-].c1(cc(cc(c1)C)C)NC(=NC(N)=[NH+]c1cc(cc(c1)C)C)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: 9.7875 ± 0.0019 Å
• b: 10.587 ± 0.002 Å
• c: 12.438 ± 0.003 Å
• α: 93.946 ± 0.003°
• β: 109.581 ± 0.002°
• γ: 114.975 ± 0.002°
• Cell volume: 1066.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No