Crystallography Open Database

Information card for entry 7235320

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Coordinates	7235320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15.42 H18.58 N O6 S
Calculated formula	C15.422 H18.578 N O6 S
Title of publication	Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies
Authors of publication	Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	16
Pages of publication	8125
a	7.8661 ± 0.0004 Å
b	7.17 ± 0.0004 Å
c	14.9612 ± 0.0008 Å
α	90°
β	91.665 ± 0.004°
γ	90°
Cell volume	843.45 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1746
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.2291
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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