Information card for entry 7125264

Structure parameters

• Formula: C19 H21 N O6
• Calculated formula: C19 H21 N O6
• 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: 10.2 ± 0.003 Å
• b: 12.903 ± 0.003 Å
• c: 14.787 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2424
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No