Information card for entry 7159902

Structure parameters

• Chemical name: 3-(methoxymethoxy)phenazin-2-ol
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• Title of publication: Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
• Authors of publication: Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 23.2329 ± 0.001 Å
• b: 4.8344 ± 0.0002 Å
• c: 23.5477 ± 0.0011 Å
• α: 90°
• β: 116.157 ± 0.006°
• γ: 90°
• Cell volume: 2374 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No