Crystallography Open Database

Information card for entry 4125450

Preview

Coordinates	4125450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Cl6 N3 O6 S
Calculated formula	C32 H35 Cl6 N3 O6 S
Title of publication	Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.
Authors of publication	Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	6
Pages of publication	2216 - 2223
a	9.157 ± 0.0003 Å
b	9.4895 ± 0.0003 Å
c	20.4389 ± 0.0006 Å
α	93.5118 ± 0.0009°
β	100.858 ± 0.0009°
γ	97.4709 ± 0.001°
Cell volume	1722.72 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0403
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
193508 (current)	2017-03-04	cif/ Updating files of 4125450, 4125451 Original log message: Adding full bibliography for 4125450--4125451.cif.	4125450.cif
192523	2017-03-01	cif/ Adding structures of 4125450 via cif-deposit CGI script.	4125450.cif