Information card for entry 7718555

Structure parameters

• Formula: C39 H34 Cu2 F9 N6 O11 S3
• Calculated formula: C39 H35 Cu2 F9 N6 O11 S3
• Title of publication: A bioinspired model for copper monooxygenase: direct aromatic hydroxylation using O₂.
• Authors of publication: Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 8788 - 8799
• a: 27.7616 ± 0.0006 Å
• b: 10.1552 ± 0.0002 Å
• c: 16.5696 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4671.38 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No