Information card for entry 7135550

Structure parameters

• Chemical name: SK-N4-158-B
• Formula: C23 H21 Br2 N O6
• Calculated formula: C23 H21 Br2 N O6
• Title of publication: Cobalt-catalysed (4+3)-annulation of oxiranes with 4-vinyl indoles: stereospecific access to fused oxepinoindoles.
• Authors of publication: Kar, Subhradeep; Maharana, Prabhat Kumar; Punniyamurthy, Tharmalingam
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 11
• Pages of publication: 3550 - 3554
• a: 10.1233 ± 0.0005 Å
• b: 26.4151 ± 0.0011 Å
• c: 8.7332 ± 0.0004 Å
• α: 90°
• β: 103.709 ± 0.001°
• γ: 90°
• Cell volume: 2268.8 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No