Information card for entry 7039257

Structure parameters

• Formula: C27 H18 N3 O4 P
• Calculated formula: C27 H18 N3 O4 P
• SMILES: O=P(Oc1cccc2cccnc12)(Oc1cccc2cccnc12)Oc1cccc2cccnc12
• Title of publication: Lead ion induced chemodosimeter approach of a tripodal hydroxyl-quinoline based phospho-ester through P-O bond cleavage.
• Authors of publication: Sain, Dibyendu; Kumari, Chanda; Kumar, Ashish; Nayek, Hari Pada; Dey, Swapan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9187 - 9192
• a: 13.3936 ± 0.0015 Å
• b: 13.3936 ± 0.0015 Å
• c: 13.3936 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2402.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No