Information card for entry 7219006

Structure parameters

• Formula: C30 H31 N5 O2
• Calculated formula: C30 H31 N5 O2
• SMILES: N12C(=O)[C@]3([C@@H]4CCC[C@H]3[C@](C1=N[C@H]1N([C@@H]2CCC1)c1ccc(cc1)C)(C1=C4C(=O)C[C@H](C1)C)C#N)C#N.N12C(=O)[C@@]3([C@H]4CCC[C@@H]3[C@@](C1=N[C@@H]1N([C@H]2CCC1)c1ccc(cc1)C)(C1=C4C(=O)C[C@@H](C1)C)C#N)C#N
• Title of publication: Highly efficient construction of a bridged pentacyclic skeleton via a six-component domino reaction under microwave irradiation
• Authors of publication: Fu, Lei; Feng, Xian; Zhang, Juan-Juan; Hu, Jun-Die; Xun, Zhan; Wang, Jian-Jun; Huang, Zhi-Bin; Shi, Da-Qing
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 1535
• a: 11.0519 ± 0.0008 Å
• b: 13.5682 ± 0.0009 Å
• c: 19.4863 ± 0.0016 Å
• α: 107.546 ± 0.002°
• β: 96.181 ± 0.001°
• γ: 109.124 ± 0.002°
• Cell volume: 2562.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No