Information card for entry 7125265

Structure parameters

• Formula: C18 H19 N O5
• Calculated formula: C18 H19 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: 7.3465 ± 0.0006 Å
• b: 12.3261 ± 0.001 Å
• c: 18.1727 ± 0.0012 Å
• α: 90°
• β: 95.772 ± 0.002°
• γ: 90°
• Cell volume: 1637.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No