Information card for entry 7021066

Structure parameters

• Formula: C34 H35 N5 O2
• Calculated formula: C34 H35 N5 O2
• SMILES: N1(C2(c3c(Oc4c2ccc(c4)N(CC)CC)cc(cc3)N(CC)CC)c2c(C1=O)cccc2)/N=C/c1ncccc1
• Title of publication: Discrimination of fluorescence light-up effects induced by pH and metal ion chelation on a spirocyclic derivative of rhodamine B.
• Authors of publication: Leite, Andreia; Silva, Ana M. G.; Cunha-Silva, Luís; de Castro, Baltazar; Gameiro, Paula; Rangel, Maria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 17
• Pages of publication: 6110 - 6118
• a: 9.457 ± 0.004 Å
• b: 26.104 ± 0.014 Å
• c: 12.077 ± 0.006 Å
• α: 90°
• β: 103.449 ± 0.015°
• γ: 90°
• Cell volume: 2900 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No