Information card for entry 1544928

Structure parameters

• Formula: C38 H26 O2
• Calculated formula: C38 H26 O2
• SMILES: c1(c2COc3ccc4ccc5ccccc5c4c3c2c2c3c4c5ccccc5ccc4ccc3OCc2c1C)C
• 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: 15.308 ± 0.003 Å
• b: 18.011 ± 0.004 Å
• c: 18.454 ± 0.004 Å
• α: 90 ± 0.03°
• β: 90.22 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 5088 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No