Crystallography Open Database

Information card for entry 7112292

Preview

Coordinates	7112292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Br4 N4 O10 S2
Calculated formula	C48 H42 Br4 N4 O10 S2
Title of publication	3-Bromooxindoles as nucleophiles in asymmetric organocatalytic Mannich reactions with N-Ts-imines.
Authors of publication	Li, Jianhao; Du, Taiping; Zhang, Gang; Peng, Yungui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	13
Pages of publication	1330 - 1332
a	10.6545 ± 0.0013 Å
b	20.649 ± 0.003 Å
c	13.3304 ± 0.0016 Å
α	90°
β	99.311 ± 0.002°
γ	90°
Cell volume	2894.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2286
Weighted residual factors for all reflections included in the refinement	0.2875
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108836
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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