Information card for entry 1511883

Structure parameters

• Formula: C23 H16 O
• Calculated formula: C23 H16 O
• SMILES: COc1ccccc2c1c1c(c2)ccc2c1c1ccccc1cc2
• Title of publication: Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.
• Authors of publication: Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1806 - 1809
• a: 12.06 ± 0.003 Å
• b: 8.342 ± 0.002 Å
• c: 15.779 ± 0.004 Å
• α: 90°
• β: 102.872 ± 0.003°
• γ: 90°
• Cell volume: 1547.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No