Information card for entry 2239707

Structure parameters

• Chemical name: 2-[2,6-Bis(propan-2-yl)phenyl]-1,3-dicyclohexylguanidine
• Formula: C25 H41 N3
• Calculated formula: C25 H41 N3
• SMILES: N(=C(NC1CCCCC1)NC1CCCCC1)c1c(C(C)C)cccc1C(C)C
• Title of publication: 2-[2,6-Bis(propan-2-yl)phenyl]-1,3-dicyclohexylguanidine
• Authors of publication: Chlupatý, Tomáš; Padělková, Zdeňka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o785
• a: 30.9001 ± 0.0003 Å
• b: 9.9442 ± 0.0005 Å
• c: 18.526 ± 0.0003 Å
• α: 90°
• β: 124.962 ± 0.003°
• γ: 90°
• Cell volume: 4665.3 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes