Information card for entry 1557811

Structure parameters

• Formula: C35 H33 N O4
• Calculated formula: C35 H33 N O4
• SMILES: C[C@]12O[C@]([C@]1(c1c(cccc1)N2C(=O)OC(C)(C)C)Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1.C[C@@]12O[C@@]([C@@]1(c1c(cccc1)N2C(=O)OC(C)(C)C)Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1
• Title of publication: A visible-light Paternò–Büchi dearomatisation process towards the construction of oxeto-indolinic polycycles
• Authors of publication: Mateos, Javier; Vega-Peñaloza, Alberto; Franceschi, Pietro; Rigodanza, Francesco; Andreetta, Philip; Companyó, Xavier; Pelosi, Giorgio; Bonchio, Marcella; Dell’Amico, Luca
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 25
• Pages of publication: 6532 - 6538
• a: 8.4764 ± 0.0013 Å
• b: 33.008 ± 0.005 Å
• c: 40.934 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11453 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No