Crystallography Open Database

Information card for entry 4131303

Preview

Coordinates	4131303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H88 Cl2 Fe P2 Si8
Calculated formula	C54 H88 Cl2 Fe P2 Si8
Title of publication	Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.
Authors of publication	Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	31
Pages of publication	10693 - 10701
a	34.9141 ± 0.0003 Å
b	10.9153 ± 0.0001 Å
c	18.6607 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	7111.55 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241536 (current)	2019-11-25	cif/ Adding structures of 4131303 via cif-deposit CGI script.	4131303.cif