Information card for entry 7152834

Structure parameters

• Formula: C29.25 H31 N4 O2.25
• Calculated formula: C29.25 H30 N4 O2.25
• Title of publication: An acid catalyzed reversible ring-opening/ring-closure reaction involving a cyano-rhodamine spirolactam.
• Authors of publication: Li, Honglin; Guan, Hong; Duan, Xinrui; Hu, Jun; Wang, Guiren; Wang, Qian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 1805 - 1809
• a: 11.2094 ± 0.0016 Å
• b: 14.479 ± 0.002 Å
• c: 16.455 ± 0.002 Å
• α: 80.674 ± 0.003°
• β: 86.095 ± 0.003°
• γ: 75.836 ± 0.003°
• Cell volume: 2554.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No