Information card for entry 7249991

Structure parameters

• Formula: C17 H12 O2
• Calculated formula: C17 H12 O2
• Title of publication: Sustainable construction of value-added naphthoquinones for pharmaceuticals
• Authors of publication: Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3465 - 3476
• a: 5.4268 ± 0.0001 Å
• b: 10.2243 ± 0.0002 Å
• c: 22.7209 ± 0.0005 Å
• α: 90°
• β: 94.593 ± 0.002°
• γ: 90°
• Cell volume: 1256.63 ± 0.04 ų
• Cell temperature: 298.7 K
• Ambient diffraction temperature: 298.7 K
• Number of distinct elements: 3
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No