Information card for entry 1502995

Structure parameters

• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• SMILES: O=C1[C@@]2([C@@H](c3ccccc3)C=C(OC2=O)C(=O)OC)CCCC1
• Title of publication: Asymmetric synthesis of spiro-3,4-dihydropyrans via a domino organocatalytic sequence.
• Authors of publication: Yao, Weijun; Pan, Lianjie; Wu, Yihua; Ma, Cheng
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2422 - 2425
• a: 9.3739 ± 0.0001 Å
• b: 10.249 ± 0.0001 Å
• c: 16.2713 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1563.23 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0292
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No