Information card for entry 1503427

Structure parameters

• Formula: C56.3 H46.3 Cl3.9 F12 N3 P2
• Calculated formula: C56.15 H46.15 Cl3.375 F12 N3 P2
• Title of publication: Synthesis and identification of a trimethylenemethane derivative pi-extended with three pyridinyl radicals.
• Authors of publication: Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Sato, Kazunobu; Takui, Takeji; Kubo, Takashi
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 836 - 839
• a: 17.276 ± 0.005 Å
• b: 17.432 ± 0.005 Å
• c: 18.466 ± 0.005 Å
• α: 90°
• β: 91.919 ± 0.013°
• γ: 90°
• Cell volume: 5558 ± 3 ų
• Cell temperature: 200.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.3416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No