Crystallography Open Database

Information card for entry 7121304

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Structure parameters

Formula	C30 H40 Br2 N2 O8
Calculated formula	C30 H40 Br2 N2 O8
Title of publication	Enantioselective synthesis of chiral oxazolines from unactivated ketones and isocyanoacetate esters by synergistic silver/organocatalysis.
Authors of publication	Martínez-Pardo, Pablo; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R; Sanz-Marco, Amparo; Vila, Carlos
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	23
Pages of publication	2862 - 2865
a	5.8799 ± 0.0002 Å
b	29.0285 ± 0.0009 Å
c	9.8495 ± 0.0003 Å
α	90°
β	101.082 ± 0.003°
γ	90°
Cell volume	1649.81 ± 0.09 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.1728
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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