Information card for entry 4034264

Structure parameters

• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• SMILES: O1C2(c3ccccc3C(=O)N(C2=O)c2ccccc2)CCOCC1
• Title of publication: Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.
• Authors of publication: Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4534 - 4542
• a: 9.5875 ± 0.0001 Å
• b: 9.8275 ± 0.0001 Å
• c: 16.1247 ± 0.0001 Å
• α: 90°
• β: 90.184 ± 0.001°
• γ: 90°
• Cell volume: 1519.28 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No