Information card for entry 1508864

Structure parameters

• Formula: C25 H25 N3 O3
• Calculated formula: C25 H25 N3 O3
• SMILES: O=C1N2[C@H]([C@@H]3[C@H]([C@H](N(=O)=O)CC[C@H]3C1)c1ccccc1)c1[nH]c3ccccc3c1CC2
• Title of publication: One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the "inside yohimbane" system with five contiguous stereogenic centers.
• Authors of publication: Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 468 - 471
• a: 21.033 ± 0.003 Å
• b: 9.9868 ± 0.0013 Å
• c: 10.2026 ± 0.0013 Å
• α: 90°
• β: 102.928 ± 0.002°
• γ: 90°
• Cell volume: 2088.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No