Information card for entry 7232097

Structure parameters

• Chemical name: 5-((8'-hydroxynaphthalen-1'-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• Formula: C17 H14 O5
• Calculated formula: C17 H14 O5
• 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: 7.3963 ± 0.0003 Å
• b: 14.2452 ± 0.0004 Å
• c: 13.5274 ± 0.0005 Å
• α: 90°
• β: 105.187 ± 0.004°
• γ: 90°
• Cell volume: 1375.49 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No