Information card for entry 1545744

Structure parameters

• Formula: C33 H26 Cl5 D N3 O3
• Calculated formula: C33 H26 Cl5 N3 O3
• Title of publication: Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.
• Authors of publication: Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 1954 - 1957
• a: 16.2146 ± 0.001 Å
• b: 22.561 ± 0.0014 Å
• c: 9.2044 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3367.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1666
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2699
• Weighted residual factors for all reflections included in the refinement: 0.3119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No