Information card for entry 7129048

Structure parameters

• Formula: C25 H25 N3 O4
• Calculated formula: C25 H25 N3 O4
• SMILES: O=C(OCC)C1(N=C(C2=NCC[C@@]32c2ccccc2N[C@H]13)c1ccccc1)C(=O)OCC
• Title of publication: Synthesis of polycyclic spiroindolines <i>via</i> the cascade reaction of 3-(2-isocyanoethyl)indoles.
• Authors of publication: Li, Haizhen; Wu, Jinyu; Zheng, Jianfeng; Li, Wei-Dong Z
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 84
• Pages of publication: 11092 - 11095
• a: 11.336 ± 0.0004 Å
• b: 11.9463 ± 0.0003 Å
• c: 16.0968 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2179.88 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0834
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No