Information card for entry 8107439

Structure parameters

• Formula: C23 H21 Cl N2 O5
• Calculated formula: C23 H21 Cl N2 O5
• Title of publication: Crystal structure of methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C23H21ClN2O5
• Authors of publication: Xu, Xiaona; Zhu, Zhoujing; Liu, Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 355 - 357
• a: 9.191 ± 0.003 Å
• b: 10.725 ± 0.005 Å
• c: 11.239 ± 0.001 Å
• α: 90°
• β: 109.869 ± 0.013°
• γ: 90°
• Cell volume: 1041.9 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No