Information card for entry 1569734

Structure parameters

• Chemical name: Diethyl 2,2'-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate
• Formula: C28 H34 Cl N3 O9 S
• Calculated formula: C28 H34 Cl N3 O9 S
• Title of publication: Diethyl 2,2′-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate
• Authors of publication: Ramli, Youssef; Al Garadi, Wedad; El Hafi, Mohamed; Lhoussaine, Elghayati; Essassi, El Mokhtar; Alsubari, Abdulsalam; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 8
• Pages of publication: x230699
• a: 10.683 ± 0.002 Å
• b: 11.347 ± 0.002 Å
• c: 13.203 ± 0.003 Å
• α: 90°
• β: 107.491 ± 0.003°
• γ: 90°
• Cell volume: 1526.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No