Information card for entry 7119513

Structure parameters

• Formula: C18 H14 O4
• Calculated formula: C18 H14 O4
• SMILES: O1C(=O)[C@@H]2c3ccccc3OC[C@@H]2[C@@H]1C(=O)c1ccccc1
• Title of publication: 6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis.
• Authors of publication: Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 2555 - 2558
• a: 8.7005 ± 0.0016 Å
• b: 8.8005 ± 0.0016 Å
• c: 18.865 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1444.5 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No