Information card for entry 7150717

Structure parameters

• Common name: 09058a
• Formula: C18 H23 N O2
• Calculated formula: C18 H23 N O2
• SMILES: O=C1OC[C@@H](N1[C@@]1(CC21CC2)CCCC)c1ccccc1
• Title of publication: Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides
• Authors of publication: Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3331 - 3337
• a: 6.2307 ± 0.0011 Å
• b: 16.094 ± 0.003 Å
• c: 8.0544 ± 0.0015 Å
• α: 90°
• β: 96.906 ± 0.002°
• γ: 90°
• Cell volume: 801.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No