Information card for entry 7221838

Structure parameters

• Common name: rhodamine-B-hydrazone of isophthalaldehyde
• Formula: C64 H66 N8 O4
• Calculated formula: C64 H66 N8 O4
• SMILES: N(CC)(CC)c1ccc2c(Oc3c(C42N(/N=C/c2cc(ccc2)/C=N/N2C(=O)c5ccccc5C52c2ccc(N(CC)CC)cc2Oc2c5ccc(N(CC)CC)c2)C(=O)c2c4cccc2)ccc(N(CC)CC)c3)c1
• Title of publication: Selective and sensitive turn-on chemosensor for Al(III) ion applicable in living organism: nanomolar detection in aqueous medium
• Authors of publication: Chattopadhyay, Pabitra; Pal, Siddhartha; Sen, Buddhadeb; Mukherjee, Manjira; Patra, Mousumi; Lahiri, Susmita
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 20.2211 ± 0.0017 Å
• b: 95.38 ± 0.009 Å
• c: 12.5142 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24136 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No