Information card for entry 4022547

Structure parameters

• Formula: C38 H32 O9
• Calculated formula: C38 H32 O9
• SMILES: Oc1c(cc(OC)c2cc(OC)c3ccc4c(OC)c(OC)c5ccc6c(OC)cc7c(OC)ccc(OC)c7c6c5c4c3c12)C=O
• 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: 12.5856 ± 0.0006 Å
• b: 13.9391 ± 0.0007 Å
• c: 17.2984 ± 0.0009 Å
• α: 90°
• β: 102.328 ± 0.001°
• γ: 90°
• Cell volume: 2964.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No