Information card for entry 4340842

Structure parameters

• Formula: C44 H33 N4 O3 P
• Calculated formula: C44 H33 N4 O3 P
• SMILES: c12ccc3C(c4ccc(C)cc4)=c4ccc(=c5ccc(=C(c6ccc(C)cc6)c6ccc(C(c7ccc(C)cc7)=c7ccc1[nH+]7)o6)[nH]5)n4P(=O)(n23)[O-]
• Title of publication: Phosphorus Complexes of meso-Triaryl-25-oxasmaragdyrins.
• Authors of publication: Kalita, Hemanta; Lee, Way-Zen; Ravikanth, Mangalampalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9431 - 9438
• a: 8.7643 ± 0.0005 Å
• b: 11.0201 ± 0.0008 Å
• c: 20.4623 ± 0.0018 Å
• α: 79.73 ± 0.005°
• β: 80.208 ± 0.005°
• γ: 89.199 ± 0.006°
• Cell volume: 1916.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No