Information card for entry 4024570

Structure parameters

• Formula: C19 H26 N4 O3
• Calculated formula: C19 H26 N4 O3
• SMILES: O1C(=O)N([C@H](C1)Cc1ccccc1)C(=O)[C@@H](N=N#N)C(CC)(CC)CC
• Title of publication: Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan
• Authors of publication: Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4418 - 4421
• a: 10.8315 ± 0.0002 Å
• b: 7.99869 ± 0.00014 Å
• c: 11.1291 ± 0.0002 Å
• α: 90°
• β: 101.919 ± 0.001°
• γ: 90°
• Cell volume: 943.41 ± 0.03 ų
• Cell temperature: 93.1 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: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No