Information card for entry 1508865

Structure parameters

• Formula: C25 H24 Cl N3 O3
• Calculated formula: C25 H24 Cl N3 O3
• SMILES: Clc1ccc([C@H]2[C@H](N(=O)=O)CC[C@H]3CC(=O)N4[C@H]([C@H]23)c2[nH]c3ccccc3c2CC4)cc1
• 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: 8.1146 ± 0.0008 Å
• b: 9.2164 ± 0.0009 Å
• c: 35.493 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2654.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No