Information card for entry 4103034

Structure parameters

• Common name: IIQSO_triclinic
• Chemical name: IIQSO_triclinic
• Formula: C21 H19 N3 O
• Calculated formula: C21 H19 N3 O
• Title of publication: A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines
• Authors of publication: Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12568 - 12586
• a: 11.0123 ± 0.0006 Å
• b: 11.1746 ± 0.0006 Å
• c: 14.6641 ± 0.0008 Å
• α: 72.493 ± 0.003°
• β: 89.767 ± 0.003°
• γ: 83.308 ± 0.003°
• Cell volume: 1708.31 ± 0.16 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: 0.0597
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No