Information card for entry 7150713

Structure parameters

• Common name: 07114a
• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• SMILES: c1(ccccc1)/C=C\N1C(=O)OC[C@H]1c1ccccc1
• 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: 30.294 ± 0.008 Å
• b: 6.4077 ± 0.0017 Å
• c: 7.0525 ± 0.0019 Å
• α: 90°
• β: 100.238 ± 0.004°
• γ: 90°
• Cell volume: 1347.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No