Information card for entry 7039259

Structure parameters

• Formula: C30 H21 O4 P
• Calculated formula: C30 H21 O4 P
• SMILES: P(=O)(Oc1cccc2ccccc12)(Oc1cccc2ccccc12)Oc1cccc2ccccc12
• 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: 13.7844 ± 0.0015 Å
• b: 9.8719 ± 0.0011 Å
• c: 21.2839 ± 0.0019 Å
• α: 90°
• β: 125.688 ± 0.005°
• γ: 90°
• Cell volume: 2352.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No