Information card for entry 7026721

Structure parameters

• Formula: C16 H23 N3 O2
• Calculated formula: C16 H23 N3 O2
• Title of publication: Clusters for alkyne-azide click reactions.
• Authors of publication: Heinz, Philipp; Puchberger, Michael; Bendova, Maria; Baumann, Stefan O.; Schubert, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 33
• Pages of publication: 7640 - 7644
• a: 10.6747 ± 0.0013 Å
• b: 11.2454 ± 0.0014 Å
• c: 12.4003 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1488.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No