Crystallography Open Database

Information card for entry 2108762

Preview

Coordinates	2108762.cif
Original IUCr paper	HTML

Structure parameters

Common name	myo-inositol-2,3-D-camphor ketal
Formula	C16 H26 O6
Calculated formula	C16 H26 O6
Title of publication	The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal
Authors of publication	Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold
Journal of publication	Acta Crystallographica Section B
Year of publication	2021
Journal volume	77
Journal issue	1
a	12.5887 ± 0.0007 Å
b	6.9 ± 0.0002 Å
c	18.2523 ± 0.0007 Å
α	90°
β	107.227 ± 0.005°
γ	90°
Cell volume	1514.31 ± 0.12 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for significantly intense reflections	2.56
Goodness-of-fit parameter for all reflections included in the refinement	2.09
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
261218 (current)	2021-01-26	cif/ hkl/ Adding structures of 2108762 via cif-deposit CGI script.	2108762.cif