Information card for entry 7124032

Structure parameters

• Formula: C25 H19 N O5
• Calculated formula: C25 H19 N O5
• Title of publication: Synthesis of a crystallochromic indolizine dye by a base- and catalyst-free photochemical route
• Authors of publication: Ihmels, Heiko; Dohmen, Christoph; Kreienmeier, Rouven; Patrick, Brian O.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.7046 ± 0.0008 Å
• b: 15.0609 ± 0.0011 Å
• c: 12.5922 ± 0.001 Å
• α: 90°
• β: 99.232 ± 0.002°
• γ: 90°
• Cell volume: 2003.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No