Information card for entry 1507172

Structure parameters

• Formula: C30 H17 N O2
• Calculated formula: C30 H17 N O2
• SMILES: n1(c2c(c3c1ccc1c3c3c(o1)cccc3)c1c(cc2)oc2c1cccc2)c1ccccc1
• Title of publication: Synthesis of Functionalized Dioxa-aza[7]helicenes Using Palladium Catalyzed Arylations.
• Authors of publication: Kelgtermans, Hans; Dobrzańska, Liliana; Meervelt, Luc Van; Dehaen, Wim
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1500 - 1503
• a: 8.321 ± 0.0005 Å
• b: 9.3857 ± 0.0006 Å
• c: 13.8217 ± 0.0007 Å
• α: 79.838 ± 0.004°
• β: 83.351 ± 0.004°
• γ: 74.729 ± 0.004°
• Cell volume: 1022.27 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No