Information card for entry 1546272

Structure parameters

• Formula: C40 H20
• Calculated formula: C40 H20
• Title of publication: Skeletal Rearrangement of Twisted Polycyclic Aromatic Hydrocarbons under Scholl Reaction Conditions.
• Authors of publication: Nobusue, Shunpei; Fujita, Kazuya; Tobe, Yoshito
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3227 - 3230
• a: 14.953 ± 0.002 Å
• b: 15.734 ± 0.003 Å
• c: 17.704 ± 0.003 Å
• α: 78.652 ± 0.003°
• β: 66.812 ± 0.003°
• γ: 72.621 ± 0.003°
• Cell volume: 3639.1 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No