Information card for entry 7105736

Structure parameters

• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• SMILES: N1c2ccccc2C[C@H]1[C@@H]1Cc2ccccc2N1
• Title of publication: The first stereoselective syntheses of 2,2'-biindoline
• Authors of publication: Steven Wales; Anthony Willis; Paul Keller
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 9226
• a: 11.6395 ± 0.0004 Å
• b: 7.8596 ± 0.0003 Å
• c: 14.2979 ± 0.0006 Å
• α: 90°
• β: 109.257 ± 0.003°
• γ: 90°
• Cell volume: 1234.81 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8712
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No