Information card for entry 7129576

Structure parameters

• Formula: C30 H30 N2
• Calculated formula: C30 H30 N2
• SMILES: N1(C(C(N(CC1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C
• 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: 8.8709 ± 0.0002 Å
• b: 15.6676 ± 0.0003 Å
• c: 16.3721 ± 0.0004 Å
• α: 87.09 ± 0.002°
• β: 88.058 ± 0.002°
• γ: 86.128 ± 0.002°
• Cell volume: 2266.31 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No