Information card for entry 4033884

Structure parameters

• Common name: (6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene
• Chemical name: (6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene
• Formula: C24 H22 O5
• Calculated formula: C24 H22 O5
• SMILES: O1c2c([C@H](c3ccc(OC)cc3)C[C@@H]1c1ccc(OC)cc1)cc1OCOc1c2
• Title of publication: Organophotoredox-Catalyzed Intermolecular Oxa-[4+2] Cycloaddition Reactions.
• Authors of publication: Tanaka, Kenta; Omata, Daichi; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10669 - 10678
• a: 8.5792 ± 0.0001 Å
• b: 9.5408 ± 0.0001 Å
• c: 23.8992 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1956.21 ± 0.04 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0522
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No