Crystallography Open Database

Information card for entry 7060726

Preview

Coordinates	7060726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 O5 S
Calculated formula	C33 H34 O5 S
Title of publication	Crystallization of highly soluble thioglucopyranoside ejected by coherent molecular vibrational excitation using a visible 10 fs pulsed laser
Authors of publication	Iwakura, Izumi; Hashimoto, Sena; Okamura, Kotaro; Komori-Orisaku, Keiko; Akai, Shoji; Yabushita, Atsushi
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	28
Pages of publication	12346 - 12350
a	13.5003 ± 0.0008 Å
b	4.557 ± 0.0003 Å
c	23.5269 ± 0.0017 Å
α	90°
β	102.166 ± 0.007°
γ	90°
Cell volume	1414.89 ± 0.17 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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