Information card for entry 1558383

Structure parameters

• Formula: C27 H20 N2 O2 S
• Calculated formula: C27 H20 N2 O2 S
• SMILES: S1c2c(N(c3ccc4C(=O)N(C(C)C)C(=O)c5c4c3ccc5)c3ccccc13)cccc2
• Title of publication: Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.
• Authors of publication: Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2020
• Journal volume: 124
• Journal issue: 26
• Pages of publication: 5393 - 5406
• a: 12.3819 ± 0.0014 Å
• b: 12.8413 ± 0.0014 Å
• c: 14.0834 ± 0.0016 Å
• α: 86.212 ± 0.004°
• β: 84.496 ± 0.004°
• γ: 72.066 ± 0.003°
• Cell volume: 2119.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1238
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2942
• Weighted residual factors for all reflections included in the refinement: 0.3128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No