Information card for entry 7217030

Structure parameters

• Formula: C30 H28 N3 O7
• Calculated formula: C30 H28 N3 O7
• SMILES: c1(ccc(cc1)N(=O)=O)C(C1=C([C@H](Cc2ccccc2)NC1=O)O)C1=C([C@H](Cc2ccccc2)NC1=O)O.CO
• Title of publication: Novel chiral tetramic acid‒derived diols: organocatalytic facile synthesis and unique structural properties
• Authors of publication: Sengoku, Tetsuya; Suzuki, Kosuke; Nakayama, Ken; Fumitoshi, Yagishita; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 10.4426 ± 0.0006 Å
• b: 12.0149 ± 0.0007 Å
• c: 21.139 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2652.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.2861
• Weighted residual factors for all reflections included in the refinement: 0.2866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No