Information card for entry 7235691

Structure parameters

• Formula: C31 H25 Cl N2 O3
• Calculated formula: C31 H25 Cl N2 O3
• Title of publication: Facile cyclization in the synthesis of highly fused diaza cyclooctanoid compounds using retrievable nano magnetite-supported sulfonic acid catalyst
• Authors of publication: Pathak, Sudipta; Debnath, Kamalesh; Mollick, Md. Masud Rahaman; Pramanik, Animesh
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 45
• Pages of publication: 23779
• a: 19.479 ± 0.003 Å
• b: 10.6597 ± 0.0018 Å
• c: 24.687 ± 0.004 Å
• α: 90°
• β: 106.835 ± 0.002°
• γ: 90°
• Cell volume: 4906.3 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No