Information card for entry 2003272

Structure parameters

• Formula: C17 H22 O5
• Calculated formula: C17 H22 O5
• SMILES: [C@@H]12[C@@H]3C[C@@]4(CC[C@H]5CC[C@H](C[C@]1(OC3=O)O)[C@@]245)C(=O)OCC.[C@H]12[C@H]3C[C@]4(CC[C@@H]5CC[C@@H](C[C@@]1(OC3=O)O)[C@]245)C(=O)OCC
• Title of publication: A [5.5.5.5]Fenestrane Derivative
• Authors of publication: Guidetti-Grept, R.; Herzog, B.; Debrunner, B.; Siljegovic, V.; Keese, R.; Frey, H.-M.; Hauser, A.; König, O.; Lüthi, S.; Birrer, J.; Nyffeler, D.; Förtsch, M.; Bürgi, H.-B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 495 - 497
• a: 13.274 ± 0.004 Å
• b: 7.746 ± 0.002 Å
• c: 15.08 ± 0.005 Å
• α: 90°
• β: 108.33 ± 0.03°
• γ: 90°
• Cell volume: 1471.9 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.534
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No