Information card for entry 4104293

Structure parameters

• Formula: C45 H32 N P
• Calculated formula: C45 H32 N P
• SMILES: P1(C(=C2CCCCC2=C1c1ccccc1)c1nc2c(cc1)c1c3c4c5ccccc5ccc4ccc3ccc1cc2)c1ccccc1
• Title of publication: Metal-Bis(helicene) Assemblies Incorporating π-Conjugated Phosphole-Azahelicene Ligands: Impacting Chiroptical Properties by Metal Variation
• Authors of publication: Sébastien Graule; Mark Rudolph; Nicolas Vanthuyne; Jochen Autschbach; Christian Roussel; Jeanne Crassous; Régis Réau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3183 - 3185
• a: 9.701 ± 0.002 Å
• b: 11.374 ± 0.002 Å
• c: 14.341 ± 0.002 Å
• α: 78.216 ± 0.01°
• β: 87.051 ± 0.011°
• γ: 83.926 ± 0.012°
• Cell volume: 1539.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1713
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No