Information card for entry 2015444

Structure parameters

• Chemical name: (1SR,2SR,3SR,4RS,5RS,6RS,7SR,8RS)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate
• Formula: C16 H20 Cl2 O8
• Calculated formula: C16 H20 Cl2 O8
• SMILES: [C@@H]1([C@H]([C@H]2[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)[C@@H]([C@@H]2Cl)Cl)OC(=O)C)OC(=O)C
• Title of publication: (1<i>SR</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,6<i>RS</i>,7<i>SR</i>,8<i>RS</i>)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate
• Authors of publication: Şahin, Ertan; Kelebekli, Latif; Kara, Yunus; Balci, Metin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o432 - o434
• a: 8.9489 ± 0.0005 Å
• b: 11.023 ± 0.0008 Å
• c: 11.2885 ± 0.0007 Å
• α: 111.427 ± 0.002°
• β: 98.281 ± 0.001°
• γ: 108.834 ± 0.001°
• Cell volume: 936.71 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes