Information card for entry 7133100

Structure parameters

• Common name: carbonyl-bridged rhodol
• Chemical name: 1a
• Formula: C27 H17 N O3
• Calculated formula: C27 H17 N O3
• SMILES: O1c2c3C(=C4C1=CC(=O)C=C4)c1c(C(=O)c3cc(N(c3ccccc3)C)c2)cccc1
• Title of publication: Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols.
• Authors of publication: Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 50
• Pages of publication: 6407 - 6410
• a: 7.3843 ± 0.0002 Å
• b: 20.0427 ± 0.0005 Å
• c: 24.5666 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3635.89 ± 0.16 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No