Information card for entry 7133169

Structure parameters

• Formula: C54 H53 N3
• Calculated formula: C54 H53 N3
• Title of publication: Carbazole-Embedded p-Benziporphyrinoid: Synthesis, Structure and Reversible Chemodosimeter for Mercury(II) Ion
• Authors of publication: Gokulnath, Sabapathi; Naniyil, Athira; Koroth Valappil, Naveen; Andrews, Alex P.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.502 ± 0.003 Å
• b: 11.537 ± 0.004 Å
• c: 19.141 ± 0.006 Å
• α: 96.877 ± 0.012°
• β: 98.17 ± 0.012°
• γ: 99.193 ± 0.011°
• Cell volume: 2241.9 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1869
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No