Information card for entry 1514266

Structure parameters

• Formula: C46 H56 N2
• Calculated formula: C46 H56 N2
• SMILES: CCCCCCCCCCn1c2cc3c(cc2c2c1cc1ccccc1c2)n(c1c3cc2ccccc2c1)CCCCCCCCCC
• Title of publication: A Sm(II)-Mediated Cascade Approach to Dibenzoindolo[3,2-b]carbazoles: Synthesis and Evaluation.
• Authors of publication: Levick, Matthew T; Grace, Iain; Dai, Sheng-Yao; Kasch, Nicholas; Muryn, Christopher; Lambert, Colin; Turner, Michael L; Procter, David J
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 2292 - 2295
• a: 15.6742 ± 0.001 Å
• b: 5.4689 ± 0.0004 Å
• c: 21.5676 ± 0.0015 Å
• α: 90°
• β: 90.055 ± 0.006°
• γ: 90°
• Cell volume: 1848.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No