Information card for entry 4134348

Structure parameters

• Common name: KMK-20190730
• Formula: C23 H21 B N2 O
• Calculated formula: C23 H21 B N2 O
• SMILES: [B@@]123c4ccccc4CN1c1ccccc1C(c1ccccc1)=[N]2CCCO3
• Title of publication: Optical and Fluorescent Dual Sensing of Aminoalcohols by in situ Generation of BODIPY-like Chromophore.
• Authors of publication: Shirbhate, Mukesh Eknath; Kwon, Seongyeon; Song, Ayoung; Kim, Seungha; Kim, Dayeh; Huang, Haofei; Kim, Youngmee; Lee, Hanna; Kim, Sung-Jin; Baik, Mu-Hyun; Yoon, Juyoung; Kim, Kwan Mook
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.0722 ± 0.0004 Å
• b: 11.6849 ± 0.0005 Å
• c: 19.3159 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1821.93 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No