Information card for entry 7154715

Structure parameters

• Formula: C32 H23 N3 O3
• Calculated formula: C32 H23 N3 O3
• SMILES: c1(ccc(cc1)Nc1c(cc2ccccc2c1)N(C=O)Cc1c2ccccc2cc2ccccc12)N(=O)=O
• 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: 9.816 ± 0.004 Å
• b: 11.381 ± 0.004 Å
• c: 13.411 ± 0.006 Å
• α: 99.225 ± 0.019°
• β: 92.06 ± 0.02°
• γ: 100.585 ± 0.019°
• Cell volume: 1450.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No