Information card for entry 4033954

Structure parameters

• Formula: C19 H22 B N O3
• Calculated formula: C19 H22 B N O3
• SMILES: B1(CC(=C)C(=O)Nc2cccc3ccccc23)OCC(C)(CO1)C
• Title of publication: Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.
• Authors of publication: Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 19
• Pages of publication: 12532 - 12541
• a: 11.756 ± 0.004 Å
• b: 17.147 ± 0.005 Å
• c: 9.519 ± 0.003 Å
• α: 90°
• β: 113.778 ± 0.004°
• γ: 90°
• Cell volume: 1756 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No