Information card for entry 7156991

Structure parameters

• Formula: C31 H33 N3 O4
• Calculated formula: C31 H33 N3 O4
• 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: 9.899 ± 0.002 Å
• b: 11.547 ± 0.003 Å
• c: 13.186 ± 0.003 Å
• α: 111.235 ± 0.017°
• β: 91.111 ± 0.016°
• γ: 102.013 ± 0.016°
• Cell volume: 1366.7 ± 0.6 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1856
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No