Information card for entry 7232088

Structure parameters

• Chemical name: Tetramethylguanidinium 8-benzoylnaphth-1-oate
• Formula: C22 H25.1 N3 O2.05
• Calculated formula: C22 H25.1 N3 O2.05
• 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: 8.2578 ± 0.0004 Å
• b: 10.5748 ± 0.0005 Å
• c: 23.1819 ± 0.0012 Å
• α: 99.596 ± 0.004°
• β: 91.72 ± 0.004°
• γ: 104.122 ± 0.004°
• Cell volume: 1930.4 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No