Information card for entry 1514267

Structure parameters

• Formula: C50 H64 N2
• Calculated formula: C50 H64 N2
• SMILES: CCCCCCCCCCn1c2cc3c(cc2c2c1cc1cc(C)c(cc1c2)C)n(c1c3cc2cc(C)c(cc2c1)C)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: 5.9862 ± 0.0005 Å
• b: 16.452 ± 0.002 Å
• c: 20.776 ± 0.0018 Å
• α: 95.482 ± 0.009°
• β: 94.572 ± 0.007°
• γ: 97.856 ± 0.009°
• Cell volume: 2008.7 ± 0.3 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: 0.2047
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No