Information card for entry 1543272

Structure parameters

• Formula: C23 H15 N
• Calculated formula: C23 H15 N
• SMILES: n1c(c2ccc3c(cccc3)c2c2ccccc12)c1ccccc1
• Title of publication: Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions
• Authors of publication: Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 3723
• a: 19.533 ± 0.004 Å
• b: 7.5052 ± 0.0015 Å
• c: 21.247 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3114.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No