Crystallography Open Database

Information card for entry 4025867

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Structure parameters

Formula	C23 H22 N2 O2 S
Calculated formula	C23 H22 N2 O2 S
SMILES	S(=O)(=O)(N[C@H](c1c2ccccc2[nH]c1)c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	SPINOL-Derived Phosphoric Acids: Synthesis and Application in Enantioselective Friedel-Crafts Reaction of Indoles with Imines
Authors of publication	Fangxi Xu; Dan Huang; Chao Han; Wei Shen; Xufeng Lin; Yanguang Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	8677 - 8680
a	9.5928 ± 0.00018 Å
b	9.33221 ± 0.00017 Å
c	11.7332 ± 0.0003 Å
α	90°
β	97.7632 ± 0.0019°
γ	90°
Cell volume	1040.75 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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