Crystallography Open Database

Information card for entry 7217888

Preview

Coordinates	7217888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H94 N O33.7
Calculated formula	C19.128 H79.4232 N1.008 O33.6752
Title of publication	Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion.
Authors of publication	Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2014
Journal volume	16
Journal issue	39
Pages of publication	21467 - 21472
a	23.361 ± 0.002 Å
b	23.361 ± 0.002 Å
c	12.248 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6684.2 ± 1.4 Å³
Cell temperature	100 ± 3 K
Ambient diffraction temperature	100 ± 3 K
Number of distinct elements	4
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.213
Weighted residual factors for all reflections included in the refinement	0.2231
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180509 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/78.	7217888.cif
124928	2014-10-06	cif/ Updating files of 7217888 Original log message: Adding full bibliography for 7217888.cif.	7217888.cif
122743	2014-09-04	cif/ Adding structures of 7217888 via cif-deposit CGI script.	7217888.cif