Information card for entry 7158319

Structure parameters

• Formula: C41 H42 N4 O3
• Calculated formula: C41 H42 N4 O3
• Title of publication: Carbene functionalization of porphyrinoids through tosylhydrazones.
• Authors of publication: Kozhemyakin, Grigory L.; Tyurin, Vladimir S.; Shkirdova, Alena O.; Belyaev, Evgeny S.; Kirinova, Ekaterina S.; Ponomarev, Gelii V.; Chistov, Alexey A.; Aralov, Andrey V.; Tafeenko, Victor A.; Zamilatskov, Ilya A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 42
• Pages of publication: 9199 - 9210
• a: 5.516 ± 0.001 Å
• b: 19.977 ± 0.003 Å
• c: 30.8 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3393.9 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.3021
• Residual factor for significantly intense reflections: 0.1405
• Weighted residual factors for significantly intense reflections: 0.3317
• Weighted residual factors for all reflections included in the refinement: 0.4249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No