Information card for entry 7135510

Structure parameters

• Formula: C17 H10 Br F O2
• Calculated formula: C17 H10 Br F O2
• Title of publication: Unlocking reactivity potential of <i>gem</i>-dihaloolefins: access to Halo-functionalized 1,4-naphthoquinones <i>via</i> intramolecular radical oxidative cyclization.
• Authors of publication: Sharma, Manvi; Thakur, Deepika; Meena, Shivam A.; Nandy, Abhijit; Banerjee, Shibdas; Verma, Akhilesh K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1954 - 1958
• a: 10.2785 ± 0.0005 Å
• b: 14.3225 ± 0.0006 Å
• c: 9.823 ± 0.0005 Å
• α: 90°
• β: 105.808 ± 0.005°
• γ: 90°
• Cell volume: 1391.39 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No