Crystallography Open Database

Information card for entry 7133092

Preview

Coordinates	7133092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H37 N O6
Calculated formula	C45 H37 N O6
Title of publication	Simultaneously resolving BINOL and proline using a stoichiometric cocrystal switch.
Authors of publication	Songsermsawad, Sarita; Shemchuk, Oleksii; Robeyns, Koen; Collard, Laurent; E Flood, Adrian; Leyssens, Tom
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	52
Pages of publication	6607 - 6610
a	9.12901 ± 0.00014 Å
b	13.7793 ± 0.0002 Å
c	27.6456 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3477.58 ± 0.09 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0385
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133092.html