Information card for entry 8105219

Structure parameters

• Formula: C16 H8 O4
• Calculated formula: C16 H8 O4
• Title of publication: Crystal structure of 4-hydroxynaphtho[2,3-b]benzofuran-6,11-dione, C16H8O4
• Authors of publication: Luo, Peng; Chittiboyina, Amar G.; Pan, Wei-Gao; Wei, Wan-Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 565 - 567
• a: 3.7133 ± 0.0001 Å
• b: 9.7214 ± 0.0004 Å
• c: 15.5765 ± 0.0006 Å
• α: 90°
• β: 96.121 ± 0.002°
• γ: 90°
• Cell volume: 559.08 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No