Information card for entry 4036008

Structure parameters

• Formula: C30 H26 Br2 O5
• Calculated formula: C30 H26 Br2 O5
• SMILES: Br[C@@H]1C(=O)[C@@H](Br)[C@H]2C34[C@H]1c1c(ccc(c1[C@H]3c1ccccc1[C@@H]4c1c2c(ccc1OC)OC)OC)OC
• Title of publication: Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.
• Authors of publication: Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 869 - 878
• a: 6.3754 ± 0.0003 Å
• b: 19.036 ± 0.0009 Å
• c: 10.9599 ± 0.0006 Å
• α: 90°
• β: 102.276 ± 0.0012°
• γ: 90°
• Cell volume: 1299.7 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No