Information card for entry 7231877

Structure parameters

• Formula: C26 H11 F12 N2
• Calculated formula: C26 H11 F12 N2
• Title of publication: Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes
• Authors of publication: Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 69
• Pages of publication: 39269
• a: 35.48 ± 0.03 Å
• b: 14.931 ± 0.011 Å
• c: 8.852 ± 0.006 Å
• α: 90°
• β: 99.42 ± 0.02°
• γ: 90°
• Cell volume: 4626 ± 6 ų
• Cell temperature: 103 ± 0.2 K
• Ambient diffraction temperature: 103 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No