Information card for entry 1573283

Structure parameters

• Formula: C35 H21 N3 O
• Calculated formula: C35 H21 N3 O
• SMILES: O(c1c2nnc(nc2ccc1)c1ccccc1)c1cc2c(cc1)ccc1c2c2c(cc1)ccc1c2cccc1
• Title of publication: π-Curved Blatter radicals: Blatter helicenes.
• Authors of publication: Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 496 - 499
• a: 15.5452 ± 0.0002 Å
• b: 4.78961 ± 0.00006 Å
• c: 32.495 ± 0.0004 Å
• α: 90°
• β: 103.488 ± 0.0013°
• γ: 90°
• Cell volume: 2352.7 ± 0.05 ų
• Cell temperature: 100.02 ± 0.12 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No