Information card for entry 2011093

Structure parameters

• Chemical name: 12,13-Dihydrobenzo[e]napth[2,1-g]azulen-14(11H)-one
• Formula: C22 H16 O
• Calculated formula: C22 H16 O
• SMILES: O=c1c2CCCc2c2ccccc2c2ccc3ccccc3c12
• 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: 11.8466 ± 0.0012 Å
• b: 12.489 ± 0.0015 Å
• c: 20.703 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3063.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.11
• 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