Information card for entry 4517276

Structure parameters

• Formula: C36 H36 Cl2 N4 O3
• Calculated formula: C36 H36 Cl2 N4 O3
• SMILES: Clc1cc(Cl)cc(c1O)/C=N/CCCN1C2(c3cc(c(NCC)cc3Oc3c2cc(c(NCC)c3)C)C)c2c(cccc2)C1=O
• Title of publication: Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance
• Authors of publication: Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita
• Journal of publication: ACS Omega
• Year of publication: 2019
• a: 13.513 ± 0.002 Å
• b: 9.3806 ± 0.0017 Å
• c: 25.521 ± 0.005 Å
• α: 90°
• β: 94.479 ± 0.006°
• γ: 90°
• Cell volume: 3225.2 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• 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: 0.2103
• Residual factor for significantly intense reflections: 0.1957
• Weighted residual factors for significantly intense reflections: 0.4969
• Weighted residual factors for all reflections included in the refinement: 0.5038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No