Information card for entry 4022548

Structure parameters

• Formula: C44 H42 O12
• Calculated formula: C40 H34 O10
• SMILES: Oc1c(cc(OC)c2c1c1c(c(OC)c2)ccc2c1c1c(c(OC)c2OC)ccc2c1c1c(cc2OC)c(OC)cc(c1O)C(=O)C)C(=O)C
• Title of publication: Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions
• Authors of publication: Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 8539 - 8544
• a: 14.802 ± 0.002 Å
• b: 16.017 ± 0.002 Å
• c: 17.246 ± 0.002 Å
• α: 90°
• β: 113.003 ± 0.002°
• γ: 90°
• Cell volume: 3763.5 ± 0.9 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: 0.0879
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No