Information card for entry 2222168

Structure parameters

• Chemical name: 8,14-Secogammacera-7,14(27)-diene-3,21-dione–8,14-secogammacera-7,14-diene-\ 3,21-dione (1.5/0.5)
• Formula: C60 H92 O4
• Calculated formula: C60 H92 O4
• SMILES: C=C1CC[C@H]2[C@@]([C@@H]1CC[C@@H]1C(=CC[C@H]3[C@@]1(C)CCC(=O)C3(C)C)C)(C)CCC(=O)C2(C)C.CC1=CC[C@H]2[C@@]([C@@H]1CC[C@@H]1C(=CC[C@H]3[C@@]1(C)CCC(=O)C3(C)C)C)(C)CCC(=O)C2(C)C
• Title of publication: 8,14-Secogammacera-7,14(27)-diene-3,21-dione–8,14-secogammacera-7,14-diene-3,21-dione (1.5/0.5) from the bark of <i>Lansium domesticum</i> Corr.
• Authors of publication: Tjokronegero, Roekmi-ati; Mayanti, Tri; Supratman, Unang; Mukhtar, Mat Ropi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1448
• a: 8.4522 ± 0.0002 Å
• b: 11.7144 ± 0.0002 Å
• c: 14.1292 ± 0.0003 Å
• α: 107.484 ± 0.001°
• β: 90.249 ± 0.001°
• γ: 104.871 ± 0.001°
• Cell volume: 1284.6 ± 0.05 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.242
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes