Information card for entry 1575078

Structure parameters

• Formula: C30 H25 B Br2 F2 N2 O3
• Calculated formula: C30 H25 B Br2 F2 N2 O3
• Title of publication: Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?
• Authors of publication: Kuznetsov, Kirill M.; Mesdom, Pierre; Purkait, Kallol; Blacque, Olivier; Winter, Arthur H.; Cariou, Kevin; Gasser, Gilles
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 14553 - 14563
• a: 7.88303 ± 0.00017 Å
• b: 9.5602 ± 0.0003 Å
• c: 36.0425 ± 0.0008 Å
• α: 90°
• β: 93.3839 ± 0.0019°
• γ: 90°
• Cell volume: 2711.55 ± 0.12 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No