Information card for entry 7128569

Structure parameters

• Formula: C12 H7 N Se2
• Calculated formula: C12 H7 N Se2
• SMILES: c1ccc2c3c1[nH]c1cccc(c31)[Se][Se]2
• Title of publication: Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.
• Authors of publication: Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 59
• Pages of publication: 7252 - 7255
• a: 9.9907 ± 0.0004 Å
• b: 6.748 ± 0.0003 Å
• c: 14.9843 ± 0.0006 Å
• α: 90°
• β: 95.086 ± 0.004°
• γ: 90°
• Cell volume: 1006.22 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No