Information card for entry 1548532

Structure parameters

• Formula: C15 H12 N2
• Calculated formula: C15 H12 N2
• SMILES: C=NN1C2c3ccccc3C1c1ccccc21
• Title of publication: Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.
• Authors of publication: Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1540 - 1543
• a: 22.851 ± 0.003 Å
• b: 5.7145 ± 0.0006 Å
• c: 16.97 ± 0.002 Å
• α: 90°
• β: 98.174 ± 0.003°
• γ: 90°
• Cell volume: 2193.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No