Information card for entry 7232098

Structure parameters

• Chemical name: 7a-hydroxy-9-phenyl-7a,8,9,10-tetrahydro-11H-benzo[f]naphtho[1,8-bc]oxepin-11-one
• Formula: C23 H18 O3
• Calculated formula: C23 H18 O3
• 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: 6.9441 ± 0.0004 Å
• b: 8.8146 ± 0.0004 Å
• c: 14.8418 ± 0.0008 Å
• α: 77.773 ± 0.004°
• β: 78.744 ± 0.004°
• γ: 76.371 ± 0.004°
• Cell volume: 852.7 ± 0.08 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No