Information card for entry 7120712

Structure parameters

• Common name: 11-isocyano-9,10-dihydro-9,10-epiminoanthracene
• Chemical name: N-isocyano-dibenzo-7-azanorbornadiene
• Formula: C15 H10 N2
• Calculated formula: C15 H10 N2
• SMILES: [C]#[N]N1C2c3ccccc3C1c1ccccc21
• Title of publication: An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen, and a carbon atom
• Authors of publication: Joost, Maximilian; Nava, Matthew Jordan; Transue, Wesley J.; Cummins, Christopher
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.291 ± 0.002 Å
• b: 6.1867 ± 0.0015 Å
• c: 11.241 ± 0.003 Å
• α: 90°
• β: 106.88 ± 0.004°
• γ: 90°
• Cell volume: 551.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No