Information card for entry 7027010

Structure parameters

• Formula: C32 H42 N2 O
• Calculated formula: C32 H42 N2 O
• SMILES: N(C(=N\c1c(C(C)C)cccc1C(C)C)/c1ccc(OC)cc1)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: 18.269 ± 0.002 Å
• b: 10.122 ± 0.001 Å
• c: 17.899 ± 0.002 Å
• α: 90°
• β: 117.717 ± 0.009°
• γ: 90°
• Cell volume: 2930.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No