Information card for entry 1511881

Structure parameters

• Formula: C22 H14 O
• Calculated formula: C22 H14 O
• SMILES: Oc1c2c3c4c(ccc5ccccc45)ccc3ccc2ccc1
• 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: 9.652 ± 0.0011 Å
• b: 14.2244 ± 0.0015 Å
• c: 20.858 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2863.7 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No