Information card for entry 7224262

Structure parameters

• Common name: xanthene
• Chemical name: 12,12-dimethyl-12H-benzo[a]xanthene
• Formula: C19 H16 O
• Calculated formula: C19 H16 O
• SMILES: O1c2c(C(C)(C)c3c1ccc1c3cccc1)cccc2
• Title of publication: Copper Catalyzed Coupling of Protecting Group Free and Sterically Hindered 2-Bromobenzyl Tertiary Alcohols with Phenols and Anilines: Facile Synthesis of Xanthenes and Dihydroacridines
• Authors of publication: Gedu, Satyanarayana; Lodi, Mahendar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 20.6263 ± 0.0007 Å
• b: 20.6263 ± 0.0007 Å
• c: 8.4471 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3112.3 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No