Information card for entry 4034261

Structure parameters

• Formula: C23 H17 N O3
• Calculated formula: C23 H17 N O3
• SMILES: O1C2(c3c(C(=O)N(c4ccccc4)C2=O)cccc3)Cc2c(cccc2)C1
• 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: 8.6488 ± 0.0003 Å
• b: 9.3013 ± 0.0004 Å
• c: 11.1317 ± 0.0004 Å
• α: 91.99 ± 0.003°
• β: 93.798 ± 0.003°
• γ: 99.922 ± 0.004°
• Cell volume: 879.19 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No