Information card for entry 1554259

Structure parameters

• Chemical name: {2-[3-Ethoxy-2-(methoxymethoxy)phenyl]cyclopropane-1,1-diyl}bis(phenylmethanone)
• Formula: C27 H26 O5
• Calculated formula: C27 H26 O5
• SMILES: O=C(C1(CC1c1cccc(OCC)c1OCOC)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans
• Authors of publication: Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 1655
• a: 9.56 ± 0.001 Å
• b: 10.76 ± 0.003 Å
• c: 11.542 ± 0.003 Å
• α: 89.84 ± 0.03°
• β: 78.84 ± 0.02°
• γ: 80.4 ± 0.02°
• Cell volume: 1148 ± 0.5 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: 0.0904
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No