Information card for entry 7125266

Structure parameters

• Formula: C18 H18 F N O5
• Calculated formula: C18 H18 F N O5
• Title of publication: Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents.
• Authors of publication: Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 93
• Pages of publication: 13576 - 13579
• a: 18.99 ± 0.004 Å
• b: 5.418 ± 0.0011 Å
• c: 17.32 ± 0.004 Å
• α: 90°
• β: 113.9 ± 0.03°
• γ: 90°
• Cell volume: 1629.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No