Crystallography Open Database

Information card for entry 8105826

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Coordinates	8105826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 O3 S
Calculated formula	C27 H32 O3 S
Title of publication	The crystal structure of 2,6-di-tert-butyl-4-(phenyl(phenylsulfonyl)methyl)phenol, C27H32O3S
Authors of publication	Liu, Zhang-Qin; Tang, Min; Zhang, Liang-Dong; You, Peng-Sheng; Liu, Sheng-Shu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	703 - 705
a	12.2441 ± 0.0002 Å
b	14.935 ± 0.0002 Å
c	15.2081 ± 0.0003 Å
α	73.671 ± 0.0016°
β	70.1267 ± 0.0017°
γ	70.7828 ± 0.0015°
Cell volume	2424.41 ± 0.08 Å³
Cell temperature	297.1 ± 0.2 K
Ambient diffraction temperature	297.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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