Information card for entry 1504480

Structure parameters

• Formula: C24 H27 N O4
• Calculated formula: C24 H27 N O4
• SMILES: O=C1N2[C@]3(CC1)[C@](O)(C(=C\c1ccccc1)\C[C@@H]3CCCC2)C#CC(=O)OCC.O=C1N2[C@@]3(CC1)[C@@](O)(C(=C\c1ccccc1)\C[C@H]3CCCC2)C#CC(=O)OCC
• Title of publication: Total synthesis of (+/-)-stemonamide and (+/-)-isostemonamide using a radical cascade.
• Authors of publication: Taniguchi, Tsuyoshi; Tanabe, Genzo; Muraoka, Osamu; Ishibashi, Hiroyuki
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 197 - 199
• a: 12.0827 ± 0.0005 Å
• b: 12.7749 ± 0.0005 Å
• c: 13.3591 ± 0.0008 Å
• α: 90°
• β: 105.089 ± 0.003°
• γ: 90°
• Cell volume: 1990.95 ± 0.17 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No