Information card for entry 7242760

Structure parameters

• Common name: Anthraquinone
• Chemical name: 9,10-Anthracenedione
• Formula: C14 H8 O2
• Calculated formula: C14 H8 O2
• Title of publication: Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study
• Authors of publication: Rather, Sumair A.; Saha, Binoy K.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5768 - 5773
• a: 7.8729 ± 0.0008 Å
• b: 3.9195 ± 0.0005 Å
• c: 15.7126 ± 0.0018 Å
• α: 90°
• β: 102.604 ± 0.01°
• γ: 90°
• Cell volume: 473.17 ± 0.1 ų
• Cell temperature: 178 K
• Ambient diffraction temperature: 178 ± 0.02 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No