Information card for entry 7058911

Structure parameters

• Formula: C36 H26 Br Cl N6 O2
• Calculated formula: C36 H26 Br Cl N6 O2
• Title of publication: Design and Green Synthesis of Novel Benzotriazoloquinolinyl Spirooxindolopyrrolizidines: Antimycobacterial and Antiproliferative studies
• Authors of publication: POGAKU, VINAY; Vagolu, Siva Krishna; Balachandran, Chandrasekar; Krishnan, R.; Dharmarajan, Sriram; Aoki, Shin; Basavoju, Srininvas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 16.7974 ± 0.0006 Å
• b: 8.9666 ± 0.0003 Å
• c: 21.2412 ± 0.0008 Å
• α: 90°
• β: 102.402 ± 0.004°
• γ: 90°
• Cell volume: 3124.6 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No