Information card for entry 2008150

Structure parameters

• Common name: 9,10-ethano-9,10-dihydroanthracene
• Chemical name: [2,3:5,6]Dibenzo[2.2.2]octa-2,5-diene
• Formula: C16 H14
• Calculated formula: C16 H14
• SMILES: c1cccc2c1C1c3ccccc3C2CC1
• Title of publication: [2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene
• Authors of publication: Burrows, Lary; Masnovi, John; Baker, Ronald J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 236 - 239
• a: 10.688 ± 0.001 Å
• b: 6.3449 ± 0.0006 Å
• c: 16.978 ± 0.003 Å
• α: 90°
• β: 104.62 ± 0.01°
• γ: 90°
• Cell volume: 1114.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 2
• 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: 0.035
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 2.03
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No