Information card for entry 7159239

Structure parameters

• Formula: C29 H29 Cl O4
• Calculated formula: C29 H29 Cl O4
• 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: 9.9448 ± 0.0006 Å
• b: 10.8509 ± 0.0006 Å
• c: 12.3306 ± 0.0007 Å
• α: 92.569 ± 0.002°
• β: 104.348 ± 0.002°
• γ: 96.07 ± 0.002°
• Cell volume: 1278.38 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No