Information card for entry 7217844

Structure parameters

• Formula: C20 H14 Br N O3
• Calculated formula: C20 H14 Br N O3
• SMILES: O=C1c2c3c(ccc2)c(ccc3C(=O)N1CC)Oc1ccc(cc1)Br
• Title of publication: Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.
• Authors of publication: Mukherjee, Sanjoy; Thilagar, Pakkirisamy
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 20866 - 20877
• a: 9.008 ± 0.007 Å
• b: 7.848 ± 0.006 Å
• c: 24.086 ± 0.019 Å
• α: 90°
• β: 100.229 ± 0.013°
• γ: 90°
• Cell volume: 1676 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1291
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No