Information card for entry 4115201

Structure parameters

• Formula: C24 H27 N O4
• Calculated formula: C24 H27 N O4
• SMILES: O1[C@@]([C@H](OC1(C)C)CC)([C@H](OCc1ccccc1)C#Cc1ccccc1)C(=O)N
• Title of publication: Asymmetric Total Synthesis of (-)-Azaspirene, a Novel Angiogenesis Inhibitor
• Authors of publication: Yujiro Hayashi; Mitsuru Shoji; Junichiro Yamaguchi; Kenji Sato; Shinpei Yamaguchi; Takasuke Mukaiyama; Ken Sakai; Yukihiro Asami; Hideaki Kakeya; Hiroyuki Osada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12078 - 12079
• a: 11.404 ± 0.003 Å
• b: 7.941 ± 0.002 Å
• c: 12.843 ± 0.003 Å
• α: 90°
• β: 105.643 ± 0.005°
• γ: 90°
• Cell volume: 1120 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No