Information card for entry 2001410

Structure parameters

• Chemical name: (1R^*^,6aR^*^,14aR^*^,14bS^*^,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: 28.875 ± 0.004 Å
• b: 6.82 ± 0.002 Å
• c: 19.572 ± 0.002 Å
• α: 90°
• β: 108.56 ± 0.01°
• γ: 90°
• Cell volume: 3653.8 ± 1.3 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.995
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No