Information card for entry 7050894

Structure parameters

• Formula: C33 H24 N2
• Calculated formula: C33 H24 N2
• SMILES: n1(c(C2=Cc3c(Cc4c2cccc4)cccc3)ncc1)C1c2c(C=Cc3c1cccc3)cccc2
• Title of publication: Synthesis of a Tropylidene substituted N-Heterocyclic Carbene (tropNHC): Rearrangement and Formation of its Gold Complex
• Authors of publication: Hansjorg Grutzmacher; Carsten Bohler; Nicola Donati; Daniel Stein
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 9.7725 ± 0.0014 Å
• b: 16.385 ± 0.002 Å
• c: 14.939 ± 0.002 Å
• α: 90°
• β: 97.483 ± 0.004°
• γ: 90°
• Cell volume: 2371.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No