Information card for entry 1545221

Structure parameters

• Chemical name: 1
• Formula: C40 H26 O6
• Calculated formula: C40 H26 O6
• SMILES: O1c2c(c3c4ccccc4ccc3cc2)c2c(C1)c(c(c1c2c2c(OC1)ccc1c2c2c(cc1)cccc2)C(=O)OC)C(=O)OC
• Title of publication: Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.
• Authors of publication: Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 42 - 45
• a: 7.6621 ± 0.001 Å
• b: 9.8166 ± 0.0011 Å
• c: 19.265 ± 0.002 Å
• α: 90°
• β: 101.448 ± 0.007°
• γ: 90°
• Cell volume: 1420.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.2975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No