Information card for entry 7027009

Structure parameters

• Formula: C26 H38 N2
• Calculated formula: C26 H38 N2
• SMILES: N(=C(Nc1c(C(C)C)cccc1C(C)C)\C)\c1c(C(C)C)cccc1C(C)C
• Title of publication: Synthesis of some very bulky N,N′-disubstituted amidines and initial studies of their coordination chemistry †
• Authors of publication: Boeré, René T.; Klassen, Vicki; Wolmershäuser, Gotthelf
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 24
• Pages of publication: 4147
• a: 14.926 ± 0.001 Å
• b: 20.133 ± 0.001 Å
• c: 16.671 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5009.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No