Information card for entry 7151529

Structure parameters

• Formula: C88 H70 Cl24 N6 O12
• Calculated formula: C84 H66 Cl12 N6 O12
• Title of publication: Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/
• Authors of publication: Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 21
• Pages of publication: 3857
• a: 25.555 ± 0.009 Å
• b: 15.884 ± 0.002 Å
• c: 25.659 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10415 ± 5 ų
• Cell temperature: 288.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2452
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No