Information card for entry 1518413

Structure parameters

• Formula: C41 H39 N7 O5
• Calculated formula: C41 H39 N7 O5
• SMILES: O1c2c(ccc(N(CC)CC)c2)C2(N(/N=C/c3cc(/N=N/c4ccc(N(=O)=O)cc4)ccc3O)C(=O)c3c2cccc3)c2c1cc(N(CC)CC)cc2
• Title of publication: An azodye-rhodamine-based fluorescent and colorimetric probe specific for the detection of Pd(2+) in aqueous ethanolic solution: synthesis, XRD characterization, computational studies and imaging in live cells.
• Authors of publication: Mahapatra, Ajit Kumar; Manna, Saikat Kumar; Maiti, Kalipada; Mondal, Sanchita; Maji, Rajkishor; Mandal, Debasish; Mandal, Sukhendu; Uddin, Md Raihan; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: The Analyst
• Year of publication: 2015
• Journal volume: 140
• Journal issue: 4
• Pages of publication: 1229 - 1236
• a: 10.244 ± 0.001 Å
• b: 13.8307 ± 0.0014 Å
• c: 14.5665 ± 0.0014 Å
• α: 72.3415 ± 0.0018°
• β: 70.128 ± 0.0018°
• γ: 75.9246 ± 0.0018°
• Cell volume: 1826.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 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: 0.1274
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No