Information card for entry 7114402

Structure parameters

• Common name: Biindole
• Chemical name: 1,3-Dihydro-1'H-[3,3']biindolyl-2-one
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: O=C1Nc2ccccc2C1c1c[nH]c2c1cccc2
• Title of publication: First example of regiospecific intermolecular C‒H insertion reactions of cyclic rhodium carbenoids: novel synthesis of 3-indol-3′-yloxindoles
• Authors of publication: Muthusamy, Sengodagounder; Gunanathan, Chidambaram; Babu, Srinivasarao Arulananda; Suresh, Eringathodi; Dastidar, Parthasarathi
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 824
• a: 11.137 ± 0.004 Å
• b: 4.681 ± 0.001 Å
• c: 23.871 ± 0.006 Å
• α: 90°
• β: 95.85 ± 0.02°
• γ: 90°
• Cell volume: 1238 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0766
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No