Information card for entry 7159330

Structure parameters

• Formula: C29 H22 O
• Calculated formula: C29 H22 O
• Title of publication: Electronically-controlled diastereoselective synthesis of spirocycles <i>via</i> [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne.
• Authors of publication: Ray, Subhasish; Yadav, Anup Kumar; Singh, Saurabh; Ansari, Monish Arbaz; Singh, Maya Shankar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4195 - 4199
• a: 12.38262 ± 0.00019 Å
• b: 11.76838 ± 0.00019 Å
• c: 14.2059 ± 0.0002 Å
• α: 90°
• β: 94.2755 ± 0.0014°
• γ: 90°
• Cell volume: 2064.37 ± 0.05 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0427
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0321
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No