Information card for entry 7159240

Structure parameters

• Formula: C30 H32 O4
• Calculated formula: C30 H32 O4
• SMILES: c12ccccc1C(=O)OC(C2=O)(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccc(cc1)C
• Title of publication: Addition of sulfonylphthalides to <i>para</i>-quinone methides: Selective 1,6-additions and oxidative annulations.
• Authors of publication: Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2504 - 2508
• a: 9.895 ± 0.002 Å
• b: 10.862 ± 0.002 Å
• c: 12.428 ± 0.003 Å
• α: 92.652 ± 0.006°
• β: 104.732 ± 0.006°
• γ: 95.795 ± 0.006°
• Cell volume: 1281.6 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 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: 0.0953
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No