Crystallography Open Database

Information card for entry 8104811

Preview

Coordinates	8104811.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate
Chemical name	bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate
Formula	C9 H24 N2 O7
Calculated formula	C9 H24 N2 O7
Title of publication	The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
Authors of publication	Hosten, Eric C.; Betz, Richard
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	297 - 299
a	11.1646 ± 0.0007 Å
b	6.3264 ± 0.0004 Å
c	18.6926 ± 0.0009 Å
α	90°
β	97.5994 ± 0.0018°
γ	90°
Cell volume	1308.69 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
273859 (current)	2022-03-21	cif/ Adding structures of 8104811 via cif-deposit CGI script.	8104811.cif