Information card for entry 1519431

Structure parameters

• Chemical name: N,N-dimethylaniline-N-naphthalimide
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: O=C1N(C(=O)c2cccc3cccc1c23)c1ccc(N(C)C)cc1
• Title of publication: Polymorph crystal packing effects on charge transfer emission in the solid state
• Authors of publication: He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 3525
• a: 9.4336 ± 0.0008 Å
• b: 9.5749 ± 0.0008 Å
• c: 9.9183 ± 0.0009 Å
• α: 115.803 ± 0.009°
• β: 97.324 ± 0.007°
• γ: 104.839 ± 0.007°
• Cell volume: 749.69 ± 0.14 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No