Crystallography Open Database

Information card for entry 7125680

Preview

Coordinates	7125680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 B Mg N3 O5
Calculated formula	C38 H44 B Mg N3 O5
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	10.60635 ± 0.00016 Å
b	16.6805 ± 0.0003 Å
c	19.3703 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3426.98 ± 0.09 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
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	0.067
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247582 (current)	2020-02-04	cif/ Updating files of 7125679, 7125680, 7125681 Original log message: Adding full bibliography for 7125679--7125681.cif.	7125680.cif
245465	2019-12-21	cif/ Adding structures of 7125679, 7125680, 7125681 via cif-deposit CGI script.	7125680.cif