Crystallography Open Database

Information card for entry 2200721

2200720 << 2200721 >> 2200722

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Structure parameters

Formula	C23 H48 O2
Calculated formula	C23 H48 O2
SMILES	OCCCCCCCCCCCCCCCCCCCCCCCO
Title of publication	Tricosane-1,23-diol
Authors of publication	Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	o1091 - o1093
a	7.23 ± 0.006 Å
b	63.045 ± 0.005 Å
c	5.041 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2298 ± 3 Å³
Cell temperature	296.2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.413
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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