Information card for entry 1516082

Structure parameters

• Common name: work
• Formula: C29 H20 N2 O7
• Calculated formula: C29 H20 N2 O7
• SMILES: O1c2cc(c3oc4ccc(cc4c3c2c2c3c4cc(ccc4oc3ccc2C1)N(=O)=O)N(=O)=O)C(C)(C)C
• Title of publication: A fragment-based approach toward substituted trioxa[7]helicenes.
• Authors of publication: Kelgtermans, Hans; Dobrzańska, Liliana; Van Meervelt, Luc; Dehaen, Wim
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5200 - 5203
• a: 10.6771 ± 0.0004 Å
• b: 13.0878 ± 0.0005 Å
• c: 18.3378 ± 0.0006 Å
• α: 83.667 ± 0.002°
• β: 73.144 ± 0.002°
• γ: 75.898 ± 0.002°
• Cell volume: 2376.35 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No