Information card for entry 7106579

Structure parameters

• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• SMILES: C=C[C@H]1COc2ccc3ccccc3c2[C@@]21c1ccccc1C=CC2=O.C=C[C@@H]1COc2ccc3ccccc3c2[C@]21c1ccccc1C=CC2=O
• Title of publication: Access to unusual polycyclic spiro enones from 2,2'-bis(allyloxy)-1,1'-binaphthyls using Grubbs' catalysts: An unprecedented one-pot RCM/Claisen sequence
• Authors of publication: Estefania Piedra; Javier Francos; Noel Nebra; Francisco J. Suarez; Josefina Diez; Victorio Cadierno
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7866
• a: 8.7601 ± 0.0004 Å
• b: 9.2147 ± 0.0004 Å
• c: 11.7775 ± 0.0005 Å
• α: 73.193 ± 0.004°
• β: 77.419 ± 0.004°
• γ: 73.757 ± 0.007°
• Cell volume: 864.01 ± 0.07 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: 0.0662
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No