Information card for entry 2004570

Structure parameters

• Chemical name: methyl trans-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate
• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: O=C(OC)C1C2c3ccccc3C(c3ccccc23)C1
• Title of publication: Methyl <i>trans</i>-9,10-Dihydro-9,10-ethanoanthracene-11-carboxylate
• Authors of publication: Gable, R. W.; Qureshi, A.; Schiesser, C. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 674 - 675
• a: 13.1844 ± 0.0009 Å
• b: 6.2358 ± 0.0007 Å
• c: 17.562 ± 0.002 Å
• α: 90°
• β: 107.719 ± 0.006°
• γ: 90°
• Cell volume: 1375.4 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.0877
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα(nickelfiltered)
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No