Information card for entry 7156992

Structure parameters

• Formula: C25 H19 Br2 N3 O5
• Calculated formula: C25 H19 Br2 N3 O5
• Title of publication: Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.
• Authors of publication: Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 33
• Pages of publication: 7747 - 7759
• a: 11.2334 ± 0.0008 Å
• b: 9.4327 ± 0.0006 Å
• c: 23.5205 ± 0.0018 Å
• α: 90°
• β: 92 ± 0.05°
• γ: 90°
• Cell volume: 2490.7 ± 0.3 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 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: 0.0905
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No