Information card for entry 7218687

Structure parameters

• Common name: L1
• Chemical name: Ligand
• Formula: C34 H44 N2 O
• Calculated formula: C34 H44 N2 O
• SMILES: Oc1c(cc(C(C)(C)C)cc1CN(CCN(C)C)Cc1c2c(cccc2)cc2ccccc12)C(C)(C)C
• Title of publication: A fluorescence turn-on probe for selective detection of nitrogen dioxide
• Authors of publication: Mondal, Biplab; Kumar, Vikash
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.4955 ± 0.0011 Å
• b: 10.9564 ± 0.0013 Å
• c: 23.216 ± 0.002 Å
• α: 90°
• β: 95.88 ± 0.009°
• γ: 90°
• Cell volume: 2908.7 ± 0.5 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: 0.1488
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No