Information card for entry 4020071

Structure parameters

• Formula: C54 H46 N2 O4
• Calculated formula: C54 H46 N2 O4
• Authors of publication: Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1423 - 1431
• a: 22.015 ± 0.005 Å
• b: 13.7857 ± 0.0008 Å
• c: 14.917 ± 0.002 Å
• α: 90°
• β: 108.93 ± 0.02°
• γ: 90°
• Cell volume: 4282 ± 1 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.696
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No