Information card for entry 7106583

Structure parameters

• Formula: C32 H30 B10 N
• Calculated formula: C32 H30 B10 N
• SMILES: N(C([C]1234[C]567(C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)c1ccccc1)c1c2ccc3cccc4c5cccc6ccc(c1)c(c2c34)c56
• Title of publication: Binaphthyl platform as starting materials for the preparation of electron rich benzo[g,h,i]perylenes. Application to molecular architectures based on amino benzo[g,h,i]perylenes and carborane combinations
• Authors of publication: Gregory Pieters; Anne Gaucher; Damien Prim; Thierry Besson; Jose Giner Planas; Francesc Teixidor; Clara Vinas; Mark E Light; Michael B. Hursthouse
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7725
• a: 16.7059 ± 0.0006 Å
• b: 12.6255 ± 0.0005 Å
• c: 13.7625 ± 0.0004 Å
• α: 90°
• β: 101.603 ± 0.002°
• γ: 90°
• Cell volume: 2843.47 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0956
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No