Information card for entry 1547082

Structure parameters

• Formula: C24 H21 Cl N2 O
• Calculated formula: C24 H21 Cl N2 O
• SMILES: Clc1ccc2C3(n4c(CC=C(CC3)c3ccccc3)ccc4)C(=O)N(c2c1)C
• Title of publication: Development of Biligands Magnesium Catalysis in Asymmetric Conjugate Reactions of C3-Pyrrolyl-Oxindoles.
• Authors of publication: Wang, Kezhou; Wang, Linqing; Liu, Xihong; Li, Dan; Zhu, Haiyong; Wang, Pengxin; Liu, Yuyang; Yang, Dongxu; Wang, Rui
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 4351 - 4354
• a: 7.529 ± 0.0005 Å
• b: 8.7083 ± 0.0006 Å
• c: 29.448 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1930.8 ± 0.2 ų
• Cell temperature: 291 ± 0.2 K
• Ambient diffraction temperature: 291 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No