Information card for entry 1556236

Structure parameters

• Formula: C23 H28 O4
• Calculated formula: C23 H28 O4
• SMILES: [C@@]12(OC(C)CC2)C[C@H](O[C@H](C1)c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: Multicomponent prins cyclization from allylsilyl alcohols leading to dioxaspirodecanes.
• Authors of publication: Barbero, Asunción; Diez-Varga, Alberto; Pulido, Francisco J.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 5234 - 5237
• a: 5.8655 ± 0.0002 Å
• b: 17.9589 ± 0.0005 Å
• c: 19.3504 ± 0.0005 Å
• α: 90°
• β: 92.332 ± 0.003°
• γ: 90°
• Cell volume: 2036.64 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0698
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No