Information card for entry 7159969

Structure parameters

• Formula: C18 H12 O3
• Calculated formula: C18 H12 O3
• Title of publication: Visible-light promoted oxidative annulation of 2-naphthols with phenylglyoxal monohydrates toward hydroxy-naphthofuranone and its derivatives.
• Authors of publication: Hemamalini, Vijayakumar; Shanthi, Markabandhu; Shankar, Bhaskaran; Dandela, Rambabu; Perumal, Karuppaiah; Ramesh, Subburethinam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 26
• Pages of publication: 5314 - 5324
• a: 10.989 ± 0.007 Å
• b: 11.463 ± 0.008 Å
• c: 17.763 ± 0.013 Å
• α: 96.22 ± 0.02°
• β: 97.254 ± 0.018°
• γ: 106.44 ± 0.017°
• Cell volume: 2104 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1421
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No