Information card for entry 4020072

Structure parameters

• Formula: C50 H54 N2 O4
• Calculated formula: C50 H54 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: 21.571 ± 0.004 Å
• b: 10.548 ± 0.002 Å
• c: 19.756 ± 0.003 Å
• α: 90°
• β: 107.503 ± 0.003°
• γ: 90°
• Cell volume: 4286 ± 1 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.702
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No