Information card for entry 2009121

Structure parameters

• Common name: acenaphthene-5,6-dicarboxylic anhydride
• Formula: C14 H8 O3
• Calculated formula: C14 H8 O3
• SMILES: O=C1OC(=O)c2c3c1ccc1c3c(cc2)CC1
• Title of publication: C—H···O interactions in acenaphthene-5,6-dicarboxylic anhydride
• Authors of publication: Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1852 - 1854
• a: 15.14 ± 0.002 Å
• b: 9.671 ± 0.001 Å
• c: 7.621 ± 0.002 Å
• α: 90°
• β: 117.85 ± 0.01°
• γ: 90°
• Cell volume: 986.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No