Information card for entry 4024130

Structure parameters

• Formula: C43 H49 N3 O
• Calculated formula: C41 H45 N3
• Title of publication: Dynamic Proton-Induced Emission Switching in Donor-Functionalized Dehydrobenzopyrid[15]annulenes
• Authors of publication: Eric L. Spitler; Sean P. McClintock; Michael M. Haley
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 6692 - 6699
• a: 9.182 ± 0.002 Å
• b: 14.218 ± 0.004 Å
• c: 14.92 ± 0.004 Å
• α: 75.347 ± 0.004°
• β: 82.272 ± 0.004°
• γ: 76.899 ± 0.004°
• Cell volume: 1829.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No