Information card for entry 7056201

Structure parameters

• Formula: C16 H17 N2 O4 P
• Calculated formula: C16 H17 N2 O4 P
• SMILES: c1(c2ccccc2nn1c1ccc(cc1)OC)P(=O)(OC)OC
• Title of publication: Sn(II)-mediated facile approach for the synthesis of 2-aryl-2H-indazole-3-phosphonates and their anticancer activity
• Authors of publication: Sudhapriya, Narayanasamy; Balachandran, Chandrasekar; Awale, Suresh; Perumal, Paramasivan Thirumalai
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 9.5986 ± 0.0005 Å
• b: 9.7691 ± 0.0005 Å
• c: 10.0811 ± 0.0005 Å
• α: 102.586 ± 0.003°
• β: 97.413 ± 0.002°
• γ: 116.651 ± 0.002°
• Cell volume: 796.22 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No