Information card for entry 7243035

Structure parameters

• Chemical name: 5,6,7,9,10,11-Hexahydrobenzo[6,7]cyclohepta[1,2-b]benzo[6,7]cyclohepta[2,1-e]pyridine
• Formula: C23 H21 N
• Calculated formula: C23 H21 N
• Title of publication: Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors
• Authors of publication: Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 5113 - 5119
• a: 11.1052 ± 0.001 Å
• b: 16.1802 ± 0.0015 Å
• c: 9.2208 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1118
• 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: No
• Has Fobs: No