Information card for entry 7246440

Structure parameters

• Common name: Acenaphthene
• Formula: C12 H10
• Calculated formula: C12 H10
• Title of publication: Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.
• Authors of publication: Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 11464 - 11476
• a: 14.008 ± 0.0008 Å
• b: 8.2826 ± 0.0004 Å
• c: 7.2443 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 840.5 ± 0.08 ų
• Cell temperature: 317.5 ± 0.1 K
• Ambient diffraction temperature: 317.5 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1296
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No