Information card for entry 7104675

Structure parameters

• Formula: C28 H26 N2
• Calculated formula: C28 H26 N2
• SMILES: N1=C2[C@@](c3c1cccc3)([C@@H]1[C@H](C=C2C)[C@H]2C=C(C3=Nc4ccccc4[C@]3([C@@H]12)C)C)C.N1=C2[C@](c3c1cccc3)([C@H]1[C@@H](C=C2C)[C@@H]2C=C(C3=Nc4ccccc4[C@@]3([C@H]12)C)C)C
• Title of publication: Reactive 4a-alkyl-4aH-carbazoles by catalytic dearomatisation, and their unusual dimerisation and dealkylation reactions.
• Authors of publication: Bedford, Robin B; Butts, Craig P; Haddow, Mairi F; Osborne, Robert; Sankey, Rosalind F
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 32
• Pages of publication: 4832 - 4834
• a: 13.0545 ± 0.0003 Å
• b: 13.7865 ± 0.0003 Å
• c: 23.033 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4145.38 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No