Information card for entry 1571477

Structure parameters

• Formula: C27 H20 N2 O3
• Calculated formula: C27 H20 N2 O3
• SMILES: O1[C@@H](N(=O)=O)[C@@H](c2c1ccc1ccc3n(cc(c3c21)c1ccccc1)C)c1ccccc1
• Title of publication: Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.
• Authors of publication: Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 7300 - 7307
• a: 9.1876 ± 0.0001 Å
• b: 11.1452 ± 0.0001 Å
• c: 20.9565 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2145.9 ± 0.04 ų
• Cell temperature: 295 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: 0.0419
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No