Information card for entry 4130589

Structure parameters

• Formula: C225 H230 N10 O5
• Calculated formula: C225 H230 N10 O5
• Title of publication: Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.
• Authors of publication: Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 24
• Pages of publication: 7540 - 7543
• a: 13.6161 ± 0.0001 Å
• b: 23.9402 ± 0.0003 Å
• c: 24.0353 ± 0.0003 Å
• α: 113.847 ± 0.0007°
• β: 105.411 ± 0.0005°
• γ: 96.269 ± 0.0005°
• Cell volume: 6696.56 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1064
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2377
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No