Information card for entry 7105112

Structure parameters

• Common name: (R)-N-((3,3-difluoro-4-oxocyclopentyl)methyl)-2-(naphthalen-2- yl)-N-(4-pentylphenyl)acetamide
• Chemical name: (R)-N-((3,3-difluoro-4-oxocyclopentyl)methyl)-2-(naphthalen-2-yl)-N- (4-pentylphenyl)acetamide
• Formula: C29 H31 F2 N O2
• Calculated formula: C29 H31 F2 N O2
• Title of publication: Self-association based on orthogonal C=O...C=O interactions in the solid and liquid state.
• Authors of publication: Fäh, Christoph; Hardegger, Leo A; Ebert, Marc-Olivier; Schweizer, W Bernd; Diederich, François
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 67 - 69
• a: 6.1172 ± 0.0002 Å
• b: 26.141 ± 0.001 Å
• c: 15.5575 ± 0.0006 Å
• α: 90°
• β: 99.276 ± 0.002°
• γ: 90°
• Cell volume: 2455.3 ± 0.2 ų
• Cell temperature: 223 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: 0.1358
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2748
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No