Information card for entry 7206581

Structure parameters

• Formula: C16 H21 N O4
• Calculated formula: C16 H21 N O4
• Title of publication: Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.
• Authors of publication: Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 40
• Pages of publication: 18005 - 18014
• a: 14.7372 ± 0.0012 Å
• b: 7.5331 ± 0.0006 Å
• c: 15.9358 ± 0.0013 Å
• α: 90°
• β: 115.266 ± 0.001°
• γ: 90°
• Cell volume: 1599.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No