Information card for entry 7060857

Structure parameters

• Chemical name: 2-(9-ethyl-9H-carbazol-3-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
• Formula: C26 H18 N2 O2
• Calculated formula: C26 H18 N2 O2
• SMILES: O=C1N(c2cc3c4c(n(c3cc2)CC)cccc4)C(=O)c2c3c1cccc3ccc2
• Title of publication: Introduction of a luminescent sensor for tracking trace levels of hydrazine in insect pollinated cropland flowers
• Authors of publication: Saha, Shrabani; Das, Sujoy; Sarkar, Olivia; Chattopadhyay, Ansuman; Rissanen, Kari; Sahoo, Prithidipa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 17095 - 17100
• a: 10.321 ± 0.007 Å
• b: 16.443 ± 0.011 Å
• c: 23.688 ± 0.016 Å
• α: 90°
• β: 90.46 ± 0.008°
• γ: 90°
• Cell volume: 4020 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1269
• 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