Information card for entry 7124033

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: 17.7118 ± 0.0014 Å
• b: 16.498 ± 0.0016 Å
• c: 14.9896 ± 0.0015 Å
• α: 90°
• β: 111.497 ± 0.007°
• γ: 90°
• Cell volume: 4075.4 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0966
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No