Information card for entry 4130351

Structure parameters

• Formula: C22 H25 N O4
• Calculated formula: C22 H25 N O4
• SMILES: c1(ccc(cc1)N(=O)=O)C(=O)OC[C@@]12[C@H](CCC=C1C(=CC2)/C(=C\C)C)C.c1(ccc(cc1)N(=O)=O)C(=O)OC[C@]12[C@@H](CCC=C1C(=CC2)/C(=C\C)C)C
• Title of publication: Enantioselective Total Syntheses of Various Amphilectane and Serrulatane Diterpenoids via Cope Rearrangements.
• Authors of publication: Yu, Xuerong; Su, Fan; Liu, Chang; Yuan, Haosen; Zhao, Shan; Zhou, Zhiyao; Quan, Tianfei; Luo, Tuoping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 19
• Pages of publication: 6261 - 6270
• a: 6.8007 ± 0.0006 Å
• b: 10.8026 ± 0.0013 Å
• c: 14.4909 ± 0.0013 Å
• α: 69.445 ± 0.01°
• β: 88.471 ± 0.008°
• γ: 82.126 ± 0.009°
• Cell volume: 987.14 ± 0.19 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No