Information card for entry 7159705

Structure parameters

• Formula: C40 H26
• Calculated formula: C40 H26
• Title of publication: Pyrene-bridged acenaphthenes: synthesis and properties of a diacenaphtho[1,2-<i>e</i>:1',2'-<i>l</i>]pyrene and its symmetrical nitrogen analogue.
• Authors of publication: Polkaehn, Jonas; Ehlers, Peter; Villinger, Alexander; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 48
• Pages of publication: 9669 - 9676
• a: 5.1374 ± 0.0002 Å
• b: 19.8255 ± 0.0007 Å
• c: 12.6832 ± 0.0004 Å
• α: 90°
• β: 92.011 ± 0.001°
• γ: 90°
• Cell volume: 1291.01 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No