Information card for entry 2101187

Structure parameters

• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: COC(=O)C12[C@@]34[C@@]51CCCCC[C@@]15C2([C@]41CCCCC3)C(=O)OC
• Title of publication: Difference-density distribution of a prismane derivative
• Authors of publication: Irngartinger, H.; Oeser, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 459 - 464
• a: 15.129 ± 0.001 Å
• b: 14.853 ± 0.001 Å
• c: 7.768 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.6 ± 0.3 ų
• Cell temperature: 95 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.702
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No