Information card for entry 7109916

Structure parameters

• Chemical name: 9-cyclohexenyl-10-iodo-14bH-imidazo[1,2-c]isoquinolino[2,1-a]quinazoline
• Formula: C24 H20 I N3
• Calculated formula: C24 H20 I N3
• Title of publication: Electrophile induced branching cascade: a powerful approach to access various molecular scaffolds and their exploration as novel anti-mycobacterial agents
• Authors of publication: Nitin T. Patil; Ashok Konala; Sudha Sravanti; Ashita Singh; Ramesh Ummanni; Balasubramanian Sridhar
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10109
• a: 10.0413 ± 0.0009 Å
• b: 20.0989 ± 0.0019 Å
• c: 10.6212 ± 0.001 Å
• α: 90°
• β: 113.579 ± 0.001°
• γ: 90°
• Cell volume: 1964.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No