Crystallography Open Database

Information card for entry 7152247

Preview

Coordinates	7152247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H68 Cl2 N2 O15
Calculated formula	C45 H67.99 Cl2.01 N2 O15
Title of publication	Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.
Authors of publication	Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	12
Pages of publication	2385 - 2388
a	9.2035 ± 0.0001 Å
b	20.0206 ± 0.0001 Å
c	13.8049 ± 0.0001 Å
α	90°
β	103.152 ± 0.001°
γ	90°
Cell volume	2476.96 ± 0.04 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180308 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/22.	7152247.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152247.cif
52205	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7152245, 7152246, 7152247 via cif-deposit CGI script.	7152247.cif