Information card for entry 4038464

Structure parameters

• Formula: C26 H18 O4
• Calculated formula: C26 H18 O4
• SMILES: O1CC=Cc2c1ccc1c2c(c2c3c4c(OCC=C4)ccc3ccc2O)c(O)cc1
• Title of publication: Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.
• Authors of publication: Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 37.052 ± 0.006 Å
• b: 37.052 ± 0.006 Å
• c: 7.5084 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8927 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.4071
• Weighted residual factors for all reflections included in the refinement: 0.437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No