Information card for entry 7132410

Structure parameters

• Formula: C51 H48.75 Cl0.75 N2
• Calculated formula: C48 H42 N2
• SMILES: c1(ccc(cc1)C(C)(C)C)N1c2c(N(c3c1c1c(c4c3cccc4)cccc1)c1ccc(cc1)C(C)(C)C)c1c(c3c2cccc3)cccc1
• Title of publication: Synthesis of a novel tetra-phenol π-extended phenazine and its application as an organo-photocatalyst.
• Authors of publication: Gentile, Giuseppe; Bartolomei, Beatrice; Dosso, Jacopo; Demitri, Nicola; Filippini, Giacomo; Prato, Maurizio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 602 - 605
• a: 19.373 ± 0.004 Å
• b: 17.608 ± 0.004 Å
• c: 23.058 ± 0.005 Å
• α: 90°
• β: 92.25 ± 0.03°
• γ: 90°
• Cell volume: 7859 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.6199 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No