Information card for entry 1504913

Structure parameters

• Formula: C94 H76 Cl4 N8 O8
• Calculated formula: C94 H76 Cl4 N8 O8
• Title of publication: Synthesis and guest recognition ability of 2,3-dimethoxy-1,4-phenylene-containing porphyrinoids.
• Authors of publication: Ikeda, Chusaku; Sakamoto, Naoya; Nabeshima, Tatsuya
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4601 - 4604
• a: 22.06 ± 0.03 Å
• b: 12.69 ± 0.02 Å
• c: 29.55 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8272 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No