Information card for entry 7232086

Structure parameters

• Chemical name: 3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one
• Formula: C15 H14 O2
• Calculated formula: C15 H14 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: 14.073 ± 0.0006 Å
• b: 6.8273 ± 0.0004 Å
• c: 12.0491 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1157.68 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No