Crystallography Open Database

Information card for entry 8105744

Preview

Coordinates	8105744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 O5
Calculated formula	C16 H30 O5
Title of publication	Crystal structure of (2-(1-hydroxyheptyl)octahydro-8aH-chromene-5,8,8a-triol), C16H30O5
Authors of publication	Wang, Guangdi; Qian, Shihao; Yan, Sun; Wen, Tingchi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	539 - 541
a	5.6814 ± 0.0005 Å
b	13.0181 ± 0.0012 Å
c	22.833 ± 0.002 Å
α	90°
β	96.473 ± 0.002°
γ	90°
Cell volume	1678 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0988
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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