Information card for entry 1569161

Structure parameters

• Formula: C30 H40 N2 O2
• Calculated formula: C30 H40 N2 O2
• SMILES: C1(N(c2c(cc(cc2C)C)C)C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)C1CCCCC1
• Title of publication: Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp³ C-H bonds.
• Authors of publication: Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 7867 - 7874
• a: 9.56 ± 0.13 Å
• b: 19.48 ± 0.12 Å
• c: 15.5 ± 0.3 Å
• α: 90°
• β: 94.1 ± 0.2°
• γ: 90°
• Cell volume: 2879 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2325
• Residual factor for significantly intense reflections: 0.1648
• Weighted residual factors for significantly intense reflections: 0.3778
• Weighted residual factors for all reflections included in the refinement: 0.4084
• Goodness-of-fit parameter for all reflections included in the refinement: 2.063
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: 200keVelectrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No