Crystallography Open Database

Information card for entry 1504998

Preview

Coordinates	1504998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H63 Cl N7 O20.5
Calculated formula	C34 H52 Cl N7 O20.5
Title of publication	Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis)
Authors of publication	Norris, Timothy; VanAlsten, John; Hubbs, Stephen; Ewing, Marcus; Cai, Weiling; Jorgensen, Matthew L.; Bordner, Jon; Jensen, Grace O.
Journal of publication	Organic Process Research & Development
Year of publication	2008
Journal volume	12
Journal issue	3
Pages of publication	447
a	13.3413 ± 0.0002 Å
b	13.3413 ± 0.0002 Å
c	46.8389 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	7219.94 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2223
Weighted residual factors for all reflections included in the refinement	0.2294
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504998.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504998.cif
44424	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 1504998 via cif-deposit CGI script.	1504998.cif