Information card for entry 7128036

Structure parameters

• Formula: C44 H57 Cl4 F6 N4 O2 P Se
• Calculated formula: C44 H57 Cl4 F6 N4 O2 P Se
• SMILES: [Se]=C1N(C2CCCCCCCCCCC2)C=CN1c1ccc2n(c3cccc(c3c3c2c1[n+](c1cccc(c31)OC)CCC)OC)CCC.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Hybrids of cationic [4]helicene and N-heterocyclic carbene as ligands for complexes exhibiting (chir)optical properties in the far red spectral window.
• Authors of publication: Tarrieu, Robert; Delgado, Irene Hernandez; Zinna, Francesco; Dorcet, Vincent; Colombel-Rouen, Sophie; Crévisy, Christophe; Baslé, Olivier; Bosson, Johann; Lacour, Jérôme
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 31
• Pages of publication: 3793 - 3796
• a: 9.8906 ± 0.0006 Å
• b: 12.5154 ± 0.0009 Å
• c: 19.2461 ± 0.0013 Å
• α: 88.465 ± 0.002°
• β: 86.617 ± 0.002°
• γ: 87.886 ± 0.002°
• Cell volume: 2375.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No