Information card for entry 7219402

Structure parameters

• Chemical name: 4a
• Formula: C19 H20 N2 Se
• Calculated formula: C19 H20 N2 Se
• SMILES: [Se]=C1N(C=CN1c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers
• Authors of publication: Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.3877 ± 0.0014 Å
• b: 7.4849 ± 0.0014 Å
• c: 13.728 ± 0.002 Å
• α: 90°
• β: 98.462 ± 0.015°
• γ: 90°
• Cell volume: 852.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.061601
• Residual factor for significantly intense reflections: 0.045226
• Weighted residual factors for all reflections included in the refinement: 0.146383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0363
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No