Crystallography Open Database

Information card for entry 2243411

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Structure parameters

Chemical name	6-(Octyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol
Formula	C14 H26 O4
Calculated formula	C14 H26 O4
SMILES	O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCCCCCCCC
Title of publication	2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths
Authors of publication	Geburtig, Felix; Vill, Volkmar
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	6
Pages of publication	924 - 928
a	7.0008 ± 0.0013 Å
b	5.5112 ± 0.001 Å
c	18.544 ± 0.003 Å
α	90°
β	100.155 ± 0.004°
γ	90°
Cell volume	704.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
252482 (current)	2020-05-30	cif/ hkl/ Adding structures of 2243411, 2243412, 2243413, 2243414 via cif-deposit CGI script.	2243411.cif 2243411.hkl