Information card for entry 1512328

Structure parameters

• Formula: C24 H34 N4 O
• Calculated formula: C24 H34 N4 O
• SMILES: O([C@H]1[C@H](n2nnc(c2)c2ccccc2)[C@H]2CC[C@@H]1C2)N1C(CCCC1(C)C)(C)C.O([C@@H]1[C@@H](n2nnc(c2)c2ccccc2)[C@@H]2CC[C@H]1C2)N1C(CCCC1(C)C)(C)C
• Title of publication: Stereoselective radical azidooxygenation of alkenes.
• Authors of publication: Zhang, Bo; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 4548 - 4551
• a: 14.746 ± 0.0008 Å
• b: 14.2862 ± 0.0008 Å
• c: 11.1084 ± 0.0005 Å
• α: 90°
• β: 107.787 ± 0.002°
• γ: 90°
• Cell volume: 2228.3 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No