Information card for entry 7020979

Structure parameters

• Formula: C25 H13 N
• Calculated formula: C25 H13 N
• SMILES: n1ccccc1c1cc2ccc3ccc4ccc5ccc1c1c2c3c4c51
• Title of publication: A cyclopalladated complex of corannulene with a pyridine pendant and its columnar self-assembly
• Authors of publication: Yamada, Mihoko; Tashiro, Shohei; Miyake, Ryosuke; Shionoya, Mitsuhiko
• Journal of publication: Dalton Transactions
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3300
• a: 20.712 ± 0.003 Å
• b: 9.4816 ± 0.0013 Å
• c: 8.0453 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No