Information card for entry 7129577

Structure parameters

• Formula: C30 H30 N2 O2
• Calculated formula: C30 H30 N2 O2
• SMILES: O1OC(N(CCN(C1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1
• Title of publication: Activation of O2 Across a C(sp3)-C(sp3) Bond
• Authors of publication: Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.0368 ± 0.0006 Å
• b: 17.3714 ± 0.0005 Å
• c: 17.3317 ± 0.0007 Å
• α: 90°
• β: 104.214 ± 0.004°
• γ: 90°
• Cell volume: 4972.3 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No