Information card for entry 2001409

Structure parameters

• Chemical name: (1R^*^,6aS^*^,14aS^*^,14bR^*^,13E)-6a,14c-Epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione
• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: O=C1C[C@H]2CCCCCC/C=C/[C@@]3([C@]4(C(=C1C(=O)O4)O2)C[C@@H]3C)C.O=C1C[C@@H]2CCCCCC/C=C/[C@]3([C@@]4(C(=C1C(=O)O4)O2)C[C@H]3C)C
• Title of publication: Cyclobutane structures fused to a 13-membered ring
• Authors of publication: Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1680 - 1683
• a: 15.87 ± 0.001 Å
• b: 8.061 ± 0.001 Å
• c: 14.879 ± 0.001 Å
• α: 90°
• β: 112.46 ± 0.01°
• γ: 90°
• Cell volume: 1759.1 ± 0.3 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0478
• Goodness-of-fit parameter for significantly intense reflections: 1.493
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No