Information card for entry 7159329

Structure parameters

• Chemical name: Ray
• Formula: C23 H16 F O2
• Calculated formula: C23 H17 F O2
• SMILES: O=C1c2c(ccc(OC)c2)CC21c1c(c3cc(F)ccc3C2)cccc1
• 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: 8.03311 ± 0.0001 Å
• b: 24.9979 ± 0.0003 Å
• c: 8.69995 ± 0.0001 Å
• α: 90°
• β: 99.4412 ± 0.0012°
• γ: 90°
• Cell volume: 1723.38 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No