Information card for entry 7244054

Structure parameters

• Formula: C30 H40 N3 O4 P
• Calculated formula: C30 H40 N3 O4 P
• SMILES: P1(=O)(N[C@@H]2C(=C(Oc3ccccc23)C)C(=O)OCc2ccccc2)N([C@@H]2CCCC[C@H]2N1C(C)C)C(C)C
• Title of publication: Asymmetric [4 + 2] cycloaddition synthesis of 4H-chromene derivatives facilitated by group-assisted-purification (GAP) chemistry
• Authors of publication: Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Surowiec, Kazimierz; Unruh, Daniel; Li, Guigen
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 63
• Pages of publication: 39790 - 39796
• a: 5.46724 ± 0.00004 Å
• b: 21.5006 ± 0.00015 Å
• c: 23.19943 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2727.07 ± 0.03 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0272
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No