Information card for entry 1554538

Structure parameters

• Formula: C27 H21 N2 O P
• Calculated formula: C27 H21 N2 O P
• SMILES: P(=Nc1noc(c1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 3,3-Diazidoenones – new types of highly reactive bis-azides. Preparation and synthetic transformations
• Authors of publication: Lemport, Pavel S.; Smolyar, Ivan V.; Khrustalev, Victor N.; Roznyatovsky, Vitaly A.; Popov, Alexander V.; Kobelevskaya, Valentina A.; Rozentsveig, Igor B.; Nenajdenko, Valentine G.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 335
• a: 12.429 ± 0.003 Å
• b: 10.415 ± 0.002 Å
• c: 37.841 ± 0.008 Å
• α: 90°
• β: 90.13 ± 0.03°
• γ: 90°
• Cell volume: 4898.4 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.9626 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No