Information card for entry 4121915

Structure parameters

• Formula: C15 H20.65 N O5.32
• Calculated formula: C15 H15 N O5.332
• Title of publication: Photoswitching using visible light: a new class of organic photochromic molecules.
• Authors of publication: Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 23
• Pages of publication: 8169 - 8172
• a: 9.9202 ± 0.0005 Å
• b: 11.6625 ± 0.0006 Å
• c: 15.0194 ± 0.0008 Å
• α: 111.87 ± 0.003°
• β: 97.172 ± 0.003°
• γ: 103.982 ± 0.003°
• Cell volume: 1519.64 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0869
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No