Information card for entry 1551998

Structure parameters

• Formula: C11 H26 Cl2 N4 O8
• Calculated formula: C11 H26 Cl2 N4 O8
• SMILES: C(CC(=[N+](C)C)N(C)C)(=[N+](C)C)N(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Coordination chemistry at carbon
• Authors of publication: Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner
• Journal of publication: Nature Chemistry
• Year of publication: 2009
• Journal volume: 1
• Pages of publication: 295 - 301
• a: 10.996 ± 0.0013 Å
• b: 14.7856 ± 0.0017 Å
• c: 11.4661 ± 0.0013 Å
• α: 90°
• β: 100.023 ± 0.002°
• γ: 90°
• Cell volume: 1835.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No