Information card for entry 7224097

Structure parameters

• Formula: C19 H23 N3 O6
• Calculated formula: C19 H23 N3 O6
• SMILES: N(=O)(=O)C1=C2N[C@@H](CN2[C@@]2(O)[C@]3([C@H](O)c4c(cccc4)[C@@H]13)C(=O)CCC2)C.O.N(=O)(=O)C1=C2N[C@H](CN2[C@]2(O)[C@@]3([C@@H](O)c4c(cccc4)[C@H]13)C(=O)CCC2)C.O
• Title of publication: Access of Indenofurans and Indenopyridines via Annulation of Heterocyclic Ketene Aminals, o-Phthalaldehyde and cyclic 1.3-diketones
• Authors of publication: Shao, Xusheng; Sun, Feilong; Li, Z.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.2714 ± 0.0009 Å
• b: 20.4113 ± 0.0019 Å
• c: 9.4269 ± 0.0009 Å
• α: 90°
• β: 102.529 ± 0.002°
• γ: 90°
• Cell volume: 1741.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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 all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No