Information card for entry 7107929

Structure parameters

• Formula: C21 H21 N
• Calculated formula: C21 H21 N
• SMILES: n1cc(cc(c1)c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: 1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation
• Authors of publication: Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6642
• a: 13.283 ± 0.003 Å
• b: 8.333 ± 0.0014 Å
• c: 15.16 ± 0.003 Å
• α: 90°
• β: 101.272 ± 0.002°
• γ: 90°
• Cell volume: 1645.7 ± 0.6 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No