Information card for entry 7129462

Structure parameters

• Formula: C15 H16 O5
• Calculated formula: C15 H16 O5
• Title of publication: Wavelength Dependent Photoextrusion and Tandem Photoextrusion Reactions of Ninhydrin bis-Acetals for the Synthesis of 8-Ring Lactones, Benzocyclobutenes and Orthoanhydrides.
• Authors of publication: Harrowven, David; Sun, Wei; Kayal, Surajit; Raimbach, William; Sun, Xue-Zhong; Light, Mark E.; Hanson-Heine, Magnus W.D.; George, Michael W.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.116 ± 0.0003 Å
• b: 9.3511 ± 0.0003 Å
• c: 9.717 ± 0.0003 Å
• α: 88.072 ± 0.002°
• β: 65.61 ± 0.003°
• γ: 66.567 ± 0.003°
• Cell volume: 683.68 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No