Information card for entry 7251313

Structure parameters

• Chemical name: 1-methoxy-4-(4-nitrophenyl)naphthalene
• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• Title of publication: Fluorescent solvatochromism and nonfluorescence processes of charge-transfer-type molecules with a 4-nitrophenyl moiety
• Authors of publication: Miwa, Marino; Ito, Akitaka
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 54
• Pages of publication: 46297 - 46307
• a: 10.0247 ± 0.0004 Å
• b: 10.2858 ± 0.0003 Å
• c: 13.4724 ± 0.0005 Å
• α: 90°
• β: 110.611 ± 0.004°
• γ: 90°
• Cell volume: 1300.25 ± 0.09 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.0394
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No