Crystallography Open Database

Information card for entry 2202170

2202169 << 2202170 >> 2202171

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2202170.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(1R,2S)-1-(6-Methoxy-2-naphthyl)-3-methyl-2-(p-methylphenylsulfonylamino)- 1-(6-methoxy-2-naphthyl)butan-1-ol
Formula	C23 H27 N O4 S
Calculated formula	C23 H27 N O4 S
SMILES	S(=O)(=O)(N[C@H]([C@H](O)c1cc2ccc(OC)cc2cc1)C(C)C)c1ccc(cc1)C
Title of publication	(1<i>R</i>,2<i>S</i>)-1-(6-Methoxy-2-naphthyl)-3-methyl-2-(<i>p</i>-methylphenylsulfonylamino)-butan-1-ol
Authors of publication	Li, Xingshu; Jia, Xian; Zhou, Zhongyuan
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	5
Pages of publication	o706 - o707
a	7.3107 ± 0.0013 Å
b	11.5702 ± 0.0019 Å
c	25.117 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2124.6 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1306
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	0.799
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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