Information card for entry 4129633

Structure parameters

• Formula: C34 H38 F N O7
• Calculated formula: C34 H38 F N O7
• SMILES: O(C1(OC)C(=O)[C@]23[C@@H](c4ccc(F)cc4)C[C@H]1C=C2[C@@]1([C@H](C([C@@H](OC(=O)c2ccc(N(=O)=O)cc2)CC1)(C)C)CC3)C)C.O(C1(OC)C(=O)[C@@]23[C@H](c4ccc(F)cc4)C[C@@H]1C=C2[C@]1([C@@H](C([C@H](OC(=O)c2ccc(N(=O)=O)cc2)CC1)(C)C)CC3)C)C
• Title of publication: Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.
• Authors of publication: Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 42
• Pages of publication: 13706 - 13714
• a: 7.3015 ± 0.0006 Å
• b: 11.9676 ± 0.0008 Å
• c: 18.1605 ± 0.0011 Å
• α: 104.911 ± 0.006°
• β: 91.06 ± 0.006°
• γ: 90.15 ± 0.006°
• Cell volume: 1533.15 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No