Information card for entry 2003632

Structure parameters

• Formula: C13 H16 Br2 O4
• Calculated formula: C13 H16 Br2 O4
• SMILES: Br[C@H]1C(=C([C@@H]2CCC[C@H]1[C@@H]2Br)C(=O)OC)C(=O)OC.Br[C@@H]1C(=C([C@H]2CCC[C@@H]1[C@H]2Br)C(=O)OC)C(=O)OC
• Title of publication: Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate
• Authors of publication: Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1397 - 1399
• a: 13.945 ± 0.009 Å
• b: 15.406 ± 0.008 Å
• c: 13.83 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2971 ± 3 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.03
• Goodness-of-fit parameter for significantly intense reflections: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No