Crystallography Open Database

Information card for entry 1517086

Preview

Structure parameters

Common name	2
Chemical name	1,10-dihydroxybicyclo[8.8.8] hexacosane
Formula	C26 H50 O2
Calculated formula	C26 H50 O2
Title of publication	Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane.
Authors of publication	Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	14
Pages of publication	2841 - 2843
a	19.4695 ± 0.001 Å
b	19.4695 ± 0.001 Å
c	26.58 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	10075.5 ± 1.1 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	3
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.147
Residual factor for significantly intense reflections	0.0945
Weighted residual factors for significantly intense reflections	0.2439
Weighted residual factors for all reflections included in the refinement	0.3052
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1517086.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517086.cif
120059	2014-07-11	cif/ Adding structures of 1517086 via cif-deposit CGI script.	1517086.cif