Crystallography Open Database

Information card for entry 4126232

Preview

Coordinates	4126232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Br N O12
Calculated formula	C20 H30 Br N O12
Title of publication	Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.
Authors of publication	Cecioni, Samy; Vocadlo, David J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	25
Pages of publication	8392 - 8395
a	9.1328 ± 0.0005 Å
b	22.1807 ± 0.0012 Å
c	26.2782 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	5323.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0855
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2241
Weighted residual factors for all reflections included in the refinement	0.2309
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
200667 (current)	2017-09-12	cif/ Updating files of 4126231, 4126232 Original log message: Adding full bibliography for 4126231--4126232.cif.	4126232.cif
198012	2017-06-21	cif/ Adding structures of 4126231, 4126232 via cif-deposit CGI script.	4126232.cif