Crystallography Open Database

Information card for entry 2022670

2022669 << 2022670 >> 2022671

Preview

Coordinates	2022670.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Hydronium (1<i>S</i>,4<i>R</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate
Formula	C10 H18 O5 S
Calculated formula	C10 H18 O5 S
SMILES	S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.[OH3+]
Title of publication	Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid
Authors of publication	Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	10
a	6.72815 ± 0.00004 Å
b	11.24661 ± 0.00006 Å
c	15.51195 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	1173.77 ± 0.011 Å³
Cell temperature	99.8 ± 0.4 K
Ambient diffraction temperature	99.8 ± 0.4 K
Number of distinct elements	4
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	0.0217
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277789 (current)	2022-09-13	cif/ hkl/ Adding structures of 2022670, 2022671 via cif-deposit CGI script.	2022670.cif