Crystallography Open Database

Information card for entry 2022406

2022405 << 2022406 >> 2022407

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Structure parameters

Chemical name	Isopropyl 3-deoxy-α-<it>D</it>-<i>ribo</i>-hexopyranoside
Formula	C9 H18 O5
Calculated formula	C9 H18 O5
SMILES	O([C@H]1O[C@@H]([C@@H](O)C[C@H]1O)CO)C(C)C
Title of publication	Isopropyl 3-deoxy-α-<small>D</small>-<i>ribo</i>-hexopyranoside (isopropyl 3-deoxy-α-<small>D</small>-glucopyranoside): evaluating trends in structural parameters
Authors of publication	Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S.
Journal of publication	Acta Crystallographica Section C
Year of publication	2021
Journal volume	77
Journal issue	8
a	13.7349 ± 0.0011 Å
b	5.0575 ± 0.0004 Å
c	16.08 ± 0.0012 Å
α	90°
β	109.02 ± 0.007°
γ	90°
Cell volume	1056 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
267784 (current)	2021-07-28	cif/ hkl/ Adding structures of 2022406 via cif-deposit CGI script.	2022406.cif 2022406.hkl