Information card for entry 1544179

Structure parameters

• Formula: C48 H36 N7 O8 S2
• Calculated formula: C48 H36 N7 O8 S2
• SMILES: S(=O)(=O)([O-])c1cc2oc(nc2c2ccccc12)c1ccc(C=C(C#N)C#N)cc1.S(=O)(=O)([O-])c1c2c(cccc2)c2nc(oc2c1)c1ccc(C=C(C#N)C#N)cc1.[NH+](CC)(CC)CC
• Title of publication: A highly sensitive naphthaoxazole-based cell-permeable ratiometric chemodosimeter for hydrazine
• Authors of publication: Shweta, Shweta; Kumar, Ajit; Neeraj, Neeraj; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 97
• Pages of publication: 94959 - 94966
• a: 6.817 ± 0.005 Å
• b: 18.957 ± 0.005 Å
• c: 20.898 ± 0.005 Å
• α: 103.091 ± 0.005°
• β: 90.526 ± 0.005°
• γ: 94.227 ± 0.005°
• Cell volume: 2622 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.145
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No