Information card for entry 7154714

Structure parameters

• Formula: C36 H28 F6 N5 O2 P
• Calculated formula: C36 H28 F6 N5 O2 P
• SMILES: c1(ccc(cc1)n1c2cc3ccccc3cc2[n+](c1)Cc1c2ccccc2cc2ccccc12)N(=O)=O.CC#N.CC#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.
• Authors of publication: Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 45
• Pages of publication: 11129 - 11139
• a: 9.895 ± 0.003 Å
• b: 11.505 ± 0.005 Å
• c: 14.869 ± 0.004 Å
• α: 71.806 ± 0.005°
• β: 80.889 ± 0.002°
• γ: 82.139 ± 0.005°
• Cell volume: 1580.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No