Information card for entry 2011092

Structure parameters

• Chemical name: 6,7-Dihydrodibenz[e,g]azulen-8(5H)-one
• Formula: C18 H14 O
• Calculated formula: C18 H14 O
• SMILES: O=c1c2ccccc2c2ccccc2c2CCCc12
• Title of publication: 6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one
• Authors of publication: Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 824 - 826
• a: 8.0547 ± 0.0011 Å
• b: 17.378 ± 0.002 Å
• c: 17.919 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2508.2 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes