Crystallography Open Database

Information card for entry 7703354

Preview

Coordinates	7703354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H43 Br2 N16 O11 Sm
Calculated formula	C40 H43 Br2 N16 O11 Sm
Title of publication	A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.
Authors of publication	Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	7
Pages of publication	2331 - 2336
a	13.0011 ± 0.0001 Å
b	13.0011 ± 0.0001 Å
c	46.6691 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	6831.57 ± 0.09 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248961 (current)	2020-03-05	cif/ Updating files of 7703352, 7703353, 7703354, 7703355 Original log message: Adding full bibliography for 7703352--7703355.cif.	7703354.cif
247237	2020-01-25	cif/ Adding structures of 7703352, 7703353, 7703354, 7703355 via cif-deposit CGI script.	7703354.cif