Information card for entry 1504569

Structure parameters

• Formula: C24 H24 O2
• Calculated formula: C24 H24 O2
• SMILES: O1C2=C(c3c(CCC2)cccc3)CCC21C(=O)CCCc1ccccc21
• Title of publication: Iodine(III)-promoted ring expansion of 1-vinylcycloalkanol derivatives: a metal-free approach toward seven-membered rings.
• Authors of publication: Silva, Jr, Luiz F; Vasconcelos, Ramon S.; Nogueira, Mário A
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 1017 - 1020
• a: 7.746 ± 0.002 Å
• b: 9.39 ± 0.002 Å
• c: 13.269 ± 0.01 Å
• α: 78.439 ± 0.003°
• β: 74.706 ± 0.004°
• γ: 78.919 ± 0.002°
• Cell volume: 902.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1392
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No