Information card for entry 1562966

Structure parameters

• Formula: C21 H21 Cl2 N3 O4
• Calculated formula: C21 H21 Cl2 N3 O4
• Title of publication: Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase
• Authors of publication: Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao
• Journal of publication: Journal of Medicinal Chemistry
• Year of publication: 2021
• a: 12.9023 ± 0.0017 Å
• b: 12.742 ± 0.0014 Å
• c: 18.9596 ± 0.0019 Å
• α: 90°
• β: 103.842 ± 0.004°
• γ: 90°
• Cell volume: 3026.5 ± 0.6 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1713
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No