Information card for entry 1507434

Structure parameters

• Formula: C22 H27 N O4
• Calculated formula: C22 H26 N O4
• SMILES: O1[C@@H]2N(c3c([C@]2(O)CC1)cccc3)C[C@@]1(C(=O)C(=C(C1=O)C)CCCC)C
• Title of publication: Short Total Synthesis of (+)-Madindolines A and B
• Authors of publication: Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 501
• a: 7.639 ± 0.004 Å
• b: 9.002 ± 0.004 Å
• c: 14.719 ± 0.003 Å
• α: 90°
• β: 91.3 ± 0.02°
• γ: 90°
• Cell volume: 1011.9 ± 0.7 ų
• Cell 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 significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 4.573
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No