Information card for entry 7160719

Structure parameters

• Formula: C46 H26 B F17 N10 O
• Calculated formula: C46 H26 B F17 N10 O
• Title of publication: New carborane-BODIPY conjugates: synthesis, photochemical properties and tumor cell photodamage.
• Authors of publication: Zaitsev, Andrei V.; Markova, Alina A.; Nguyen, Minh Tuan; Makarenkov, Anton V.; Shibaeva, Anna V.; Burtsev, Ivan D.; Egorov, Anton E.; Smol'yakov, Alexander F.; Kononova, Elena G.; Kuzmin, Vladimir A.; Shtil, Alexander A.; Ol'shevskaya, Valentina A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 37
• Pages of publication: 8553 - 8569
• a: 32.7758 ± 0.001 Å
• b: 10.8044 ± 0.0004 Å
• c: 25.4493 ± 0.0008 Å
• α: 90°
• β: 103.165 ± 0.002°
• γ: 90°
• Cell volume: 8775.3 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1819
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No