Information card for entry 1505827

Structure parameters

• Formula: C27 H33 N O
• Calculated formula: C27 H33 N O
• SMILES: O([C@H]1C[C@@H](n2c1c(c1ccccc21)C1CCCCC1)c1ccccc1)C(C)(C)C.O([C@@H]1C[C@H](n2c1c(c1ccccc21)C1CCCCC1)c1ccccc1)C(C)(C)C
• Title of publication: Pt(II)- or Au(III)-catalyzed [3+2] cycloaddition of metal-containing azomethine ylides: highly efficient synthesis of the mitosene skeleton.
• Authors of publication: Kusama, Hiroyuki; Miyashita, Yuichi; Takaya, Jun; Iwasawa, Nobuharu
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 289 - 292
• a: 10.73 ± 0.01 Å
• b: 12.94 ± 0.02 Å
• c: 16.36 ± 0.02 Å
• α: 90°
• β: 93.7 ± 0.06°
• γ: 90°
• Cell volume: 2267 ± 5 ų
• Cell temperature: 223.2 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 significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No