Crystallography Open Database

Information card for entry 4032284

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Coordinates	4032284.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	16061201
Formula	C29 H34 O4 S
Calculated formula	C29 H34 O4 S
SMILES	S(=O)(=O)(c1ccccc1)/C(=C/c1ccc(OC)cc1)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Title of publication	Nucleophilicity Parameters of Arylsulfonyl-Substituted Halomethyl Anions.
Authors of publication	Li, Zhen; Chen, Quan; Mayer, Peter; Mayr, Herbert
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	4
Pages of publication	2011 - 2017
a	9.3489 ± 0.0005 Å
b	15.6494 ± 0.0009 Å
c	18.4534 ± 0.001 Å
α	90°
β	102.884 ± 0.002°
γ	90°
Cell volume	2631.8 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.046
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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