Information card for entry 7131340

Structure parameters

• Formula: C21 H20 N0 O6
• Calculated formula: C21 H20 O6
• SMILES: O1c2cc(cc(OC)c2C(=O)C(C(=O)OCC)=C1c1ccc(OC)cc1)C
• Title of publication: Substitution controlled aryne insertion: synthesis of diarylmethane/chromones.
• Authors of publication: Dhanaji, Jadhav Rahul; Samatha, Polasani; Raju, Silver; Mainkar, Prathama S.; Adepu, Raju; Chandrasekhar, Srivari
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 18
• Pages of publication: 2648 - 2651
• a: 24.577 ± 0.003 Å
• b: 8.2885 ± 0.001 Å
• c: 18.262 ± 0.003 Å
• α: 90°
• β: 101.819 ± 0.007°
• γ: 90°
• Cell volume: 3641.2 ± 0.9 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No