Information card for entry 7159880

Structure parameters

• Formula: C26 H24 O3
• Calculated formula: C26 H24 O3
• SMILES: C12=C(C(=O)CC(C2)(C)C)C(c2c(O1)ccc1c2cccc1)c1cc(OC)ccc1
• Title of publication: Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.
• Authors of publication: Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 16
• Pages of publication: 3279 - 3286
• a: 10.0374 ± 0.0001 Å
• b: 12.7461 ± 0.0001 Å
• c: 15.5693 ± 0.0002 Å
• α: 90°
• β: 93.567 ± 0.001°
• γ: 90°
• Cell volume: 1988.04 ± 0.04 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No