Information card for entry 1508862

Structure parameters

• Formula: C24 H16 N2
• Calculated formula: C24 H16 N2
• SMILES: [nH]1c2c(cccc2c2ccccc12)n1c2ccccc2c2ccccc12
• Title of publication: Toward polynuclear ru-cu catalytic dehydrogenative C-N bond formation, on the reactivity of carbazoles.
• Authors of publication: Louillat, Marie-Laure; Patureau, Frederic W.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 164 - 167
• a: 7.6144 ± 0.0004 Å
• b: 7.5543 ± 0.0003 Å
• c: 29.9948 ± 0.0014 Å
• α: 90°
• β: 91.624 ± 0.004°
• γ: 90°
• Cell volume: 1724.65 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No