Information card for entry 7218700

Structure parameters

• Common name: AMP011/230
• Formula: C44 H28 O
• Calculated formula: C44 H28 O
• SMILES: o1c2c3c(c(cc2c2ccccc2)c2ccccc2)cccc3c2cccc3c(cc(c1c23)c1ccccc1)c1ccccc1
• Title of publication: First Synthesis of Naphthalene Annulated Oxepins
• Authors of publication: Koenig, Burkhard; Dobelmann, Lars; Parham, Amir; Buchholz, Herwig; Buesing, Arne
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.9104 ± 0.0005 Å
• b: 11.7223 ± 0.001 Å
• c: 12.8808 ± 0.0009 Å
• α: 112.582 ± 0.007°
• β: 103.862 ± 0.005°
• γ: 95.539 ± 0.005°
• Cell volume: 1443.8 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.426
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No