Information card for entry 7234452

Structure parameters

• Formula: C52 H42 F4 I2 N6 O4
• Calculated formula: C52 H42 F4 I2 N6 O4
• SMILES: c12c3cccc1c(ccc2C(=O)N(C3=O)Cc1cccnc1)N1CCCCC1.c12c3ccc(c1cccc2C(=O)N(c3=O)Cc1cccnc1)N1CCCCC1.c1(c(c(c(c(c1I)F)F)I)F)F
• Title of publication: Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization
• Authors of publication: F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 9425 - 9434
• a: 39.688 ± 0.004 Å
• b: 7.41 ± 0.0007 Å
• c: 31.521 ± 0.003 Å
• α: 90°
• β: 93.019 ± 0.008°
• γ: 90°
• Cell volume: 9257.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.259
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No