Information card for entry 7104263

Structure parameters

• Formula: C21 H21 N O
• Calculated formula: C21 H21 N O
• SMILES: c12ccccc1CN1[C@@H]2[C@]2(CCC1=O)c1c(CCC2)cccc1.c12ccccc1CN1[C@H]2[C@@]2(CCC1=O)c1c(CCC2)cccc1
• Title of publication: Formation of pentacyclic structures by a domino sequence on cyclic enamides.
• Authors of publication: Satyanarayana, Gedu; Maichle-Mössmer, Caecilia; Maier, Martin E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1571 - 1573
• a: 11.3172 ± 0.0013 Å
• b: 7.6048 ± 0.0006 Å
• c: 18.468 ± 0.002 Å
• α: 90°
• β: 104.156 ± 0.009°
• γ: 90°
• Cell volume: 1541.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104245
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No