Information card for entry 1501605

Structure parameters

• Formula: C10 H18 N10 O
• Calculated formula: C10 H18 N10 O
• SMILES: NC(=N\c1ccc(cc1)/N=C(/N=C(N)N)N)/N=C(N)N.O
• Title of publication: Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts
• Authors of publication: Olivier Lebel; Thierry Maris; James D. Wuest
• Journal of publication: Can J. Chem
• Year of publication: 2006
• Journal volume: 84
• Pages of publication: 1426 - 1433
• a: 10.0311 ± 0.0016 Å
• b: 10.882 ± 0.0018 Å
• c: 21.127 ± 0.003 Å
• α: 88.09 ± 0.007°
• β: 87.28 ± 0.007°
• γ: 62.735 ± 0.006°
• Cell volume: 2047.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1294
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No