Information card for entry 7251038

Structure parameters

• Formula: C17 H13 Br O3
• Calculated formula: C17 H13 Br O3
• Title of publication: A rapid, metal-free synthesis of amino- and hydroxyphenanthrenes with tunable photophysical properties.
• Authors of publication: Ozomarisi, Hamza Enesi; Outlaw, Victor K.
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 38024 - 38028
• a: 4.52734 ± 0.00004 Å
• b: 25.31093 ± 0.00017 Å
• c: 12.21079 ± 0.00008 Å
• α: 90°
• β: 93.0826 ± 0.0007°
• γ: 90°
• Cell volume: 1397.22 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0319
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No