Information card for entry 7125679

Structure parameters

• Formula: C38 H46 Mg N3 O3.5 Si
• Calculated formula: C38 H46 Mg N3 O3.5 Si
• Title of publication: Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.
• Authors of publication: Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1203 - 1206
• a: 9.7605 ± 0.0002 Å
• b: 10.6398 ± 0.0003 Å
• c: 17.7151 ± 0.0004 Å
• α: 94.6517 ± 0.0018°
• β: 98.1677 ± 0.0018°
• γ: 90.4055 ± 0.0018°
• Cell volume: 1814.73 ± 0.08 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No