Information card for entry 7150716

Structure parameters

• Common name: 09032a
• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• SMILES: O=C1OCCN1C1(C(=C)C1)Cc1ccccc1c1ccccc1
• 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: 10.3033 ± 0.0013 Å
• b: 10.2448 ± 0.0013 Å
• c: 15.332 ± 0.002 Å
• α: 90°
• β: 95.088 ± 0.002°
• γ: 90°
• Cell volume: 1612 ± 0.4 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: 0.0584
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No