Information card for entry 4517277

Structure parameters

• Formula: C33 H29 Cl2 N4 O3
• Calculated formula: C33 H29 Cl2 N4 O3
• 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: 9.5793 ± 0.001 Å
• b: 12.2135 ± 0.0012 Å
• c: 13.5543 ± 0.0014 Å
• α: 92.238 ± 0.003°
• β: 107.023 ± 0.003°
• γ: 96.087 ± 0.003°
• Cell volume: 1503.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No