Information card for entry 7132409

Structure parameters

• Formula: C48 H42 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: 12.669 ± 0.003 Å
• b: 12.856 ± 0.003 Å
• c: 13.378 ± 0.003 Å
• α: 95.35 ± 0.03°
• β: 113.56 ± 0.03°
• γ: 111.6 ± 0.03°
• Cell volume: 1781.6 ± 1.1 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: 0.1607
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.6199 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No