Information card for entry 7003855

Structure parameters

• Formula: C25 H34 N2
• Calculated formula: C25 H34 N2
• SMILES: C(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and structure of two new (guanidinate)boron dichlorides and their attempted conversion to boron(i) derivatives
• Authors of publication: Findlater, Michael; Hill, Nicholas J.; Cowley, Alan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4419 - 4423
• a: 9.0454 ± 0.0018 Å
• b: 13.424 ± 0.003 Å
• c: 18.684 ± 0.004 Å
• α: 90°
• β: 102.93 ± 0.03°
• γ: 90°
• Cell volume: 2211.2 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1488
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No