Information card for entry 7248885

Structure parameters

• Formula: C42 H63 F6 N8 O4 P
• Calculated formula: C42 H63 F6 N8 O4 P
• Title of publication: Post-functionalization of triamino-phenazinium dyes to reach near-infrared emission
• Authors of publication: Munteanu, Tatiana; Longevial, Jean-François; Canard, Gabriel; Jacquemin, Denis; Pascal, Simon; Siri, Olivier
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 19257 - 19263
• a: 13.7061 ± 0.0005 Å
• b: 35.5623 ± 0.0012 Å
• c: 9.8813 ± 0.0003 Å
• α: 90°
• β: 106.416 ± 0.004°
• γ: 90°
• Cell volume: 4620 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1501
• Residual factor for significantly intense reflections: 0.1313
• Weighted residual factors for significantly intense reflections: 0.2814
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No