Information card for entry 7152288

Structure parameters

• Common name: p-nitrophenyl-amino-ethylene-amido-rhodamine
• Formula: C36 H39 N5 O4
• Calculated formula: C36 H39 N5 O4
• SMILES: N(c1ccc2C3(N(C(=O)c4c3cccc4)CCNc3ccc(N(=O)=O)cc3)c3ccc(N(CC)CC)cc3Oc2c1)(CC)CC
• Title of publication: Alteration of selectivity in rhodamine based probes for Fe(iii) and Hg(ii) ion induced dual mode signalling responses.
• Authors of publication: Bag, Bamaprasad; Biswal, Biswonath
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 2733 - 2738
• a: 9.225 ± 0.002 Å
• b: 12.144 ± 0.003 Å
• c: 14.886 ± 0.004 Å
• α: 74.73 ± 0.01°
• β: 78.29 ± 0.02°
• γ: 83.99 ± 0.04°
• Cell volume: 1573 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No