Information card for entry 7106106

Structure parameters

• Formula: C17 H18 N2
• Calculated formula: C17 H18 N2
• SMILES: N1([C@]2(Nc3c([C@]2(c2c1cccc2)C)cccc3)C)C.N1([C@@]2(Nc3c([C@@]2(c2c1cccc2)C)cccc3)C)C
• Title of publication: Remarkably reactive dihydroindoloindoles via palladium-catalysed dearomatisation
• Authors of publication: Robin B. Bedford; Natalie Fey; Mairi F. Haddow; Rosalind F. Sankey
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3649
• a: 11.2164 ± 0.0004 Å
• b: 13.3376 ± 0.0005 Å
• c: 18.9472 ± 0.0007 Å
• α: 83.895 ± 0.001°
• β: 89.499 ± 0.001°
• γ: 76.898 ± 0.001°
• Cell volume: 2744.71 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No