Information card for entry 7157423

Structure parameters

• Formula: C28 H28 N2 O2 S
• Calculated formula: C28 H28 N2 O2 S
• Title of publication: Photochemical rearrangement of diarylethenes: synthesis of functionalized phenanthrenes.
• Authors of publication: Zakharov, A. V.; Yadykov, A. V.; Lvov, A. G.; Mitina, E. A.; Shirinian, V. Z.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3098 - 3103
• a: 14.276 ± 0.014 Å
• b: 14.392 ± 0.012 Å
• c: 11.161 ± 0.011 Å
• α: 90°
• β: 94.34 ± 0.04°
• γ: 90°
• Cell volume: 2287 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1304
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No