Information card for entry 7021812

Structure parameters

• Formula: C29 H31 N3 O3
• Calculated formula: C29 H31 N3 O3
• SMILES: O1c2cc(NCC)c(cc2C(c2cc(c(NCC)cc12)C)(c1ccccc1C(=O)OCC)C#N)C
• Title of publication: Selective detection and bio-imaging of Pd(2+) with novel 'C-CN' bond cleavage of cyano-rhodamine, cyanation with diaminomaleonitrile.
• Authors of publication: Goswami, Shyamaprosad; Manna, Abhishek; Maity, Anup Kumar; Paul, Sima; Das, Avijit Kumar; Das, Manas Kumar; Saha, Partha; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12844 - 12848
• a: 15.2374 ± 0.0013 Å
• b: 14.6371 ± 0.0012 Å
• c: 21.6658 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4832.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No