Information card for entry 2009696

Structure parameters

• Formula: C19 H19 Br O2
• Calculated formula: C19 H19 Br O2
• SMILES: Brc1ccc(C(=O)OC2[C@H]3[C@@H]4[C@H]5CC[C@@H]([C@@H]4[C@@H]2C=C3)C5)cc1
• Title of publication: Structural investigations of a tetracyclic <i>endo</i>-norborenyl derivative
• Authors of publication: Lloyd, B.A.; Arif, A.M.; Coots, R.J.; Allred, E.L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 777 - 781
• a: 22.461 ± 0.001 Å
• b: 22.461 ± 0.001 Å
• c: 6.191 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3123.3 ± 0.5 ų
• Cell temperature: 148 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0262
• Goodness-of-fit parameter for significantly intense reflections: 1.625
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No