Information card for entry 7231878

Structure parameters

• Formula: C46 H32 Cl6 N4
• Calculated formula: C46 H32 Cl6 N4
• 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: 9.235 ± 0.016 Å
• b: 9.638 ± 0.017 Å
• c: 11.86 ± 0.02 Å
• α: 78.93 ± 0.03°
• β: 76.86 ± 0.05°
• γ: 73.21 ± 0.04°
• Cell volume: 975 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No