Information card for entry 7232093

Structure parameters

• Chemical name: 4-(dimethylamino)pyridine 1-(2'-t-butyl-8'-hydroxylnaphthalen-1'-yl)ethanonemolecular complex
• Formula: C23 H28 N2 O2
• Calculated formula: C23 H28 N2 O2
• Title of publication: O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres
• Authors of publication: Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1009
• a: 10.1265 ± 0.0011 Å
• b: 25.804 ± 0.003 Å
• c: 7.9261 ± 0.0007 Å
• α: 90°
• β: 105.497 ± 0.01°
• γ: 90°
• Cell volume: 1995.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1251
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No