Information card for entry 4033690

Structure parameters

• Common name: bis phenyl selenazole indole diselene
• Chemical name: 1,2-bis(2-phenyl-[1,3]selenazole[3,2-a]indole-3-il)diselene
• Formula: C33 H24 Cl2 N2 O Se4
• Calculated formula: C33 H24 Cl2 N2 O Se4
• SMILES: [Se]([Se]c1n2c3c(cc2[se]c1c1ccccc1)cccc3)c1n2c3ccccc3cc2[se]c1c1ccccc1.ClCCl.O
• Title of publication: Synthesis of 3-(Organochalcogen) Chalcogenazolo Indoles via Cascade Cyclization of N-Alkynylindoles.
• Authors of publication: Prochnow, Thaís; Maroneze, Adriano; Back, Davi Fernando; Zeni, Gilson
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 5
• Pages of publication: 2891 - 2900
• a: 10.3911 ± 0.0005 Å
• b: 11.0643 ± 0.0009 Å
• c: 14.6903 ± 0.0012 Å
• α: 79.994 ± 0.006°
• β: 81.269 ± 0.006°
• γ: 78.371 ± 0.005°
• Cell volume: 1617.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No