Crystallography Open Database

Information card for entry 7105030

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Structure parameters

Formula	C23 H26 Br N3 O5
Calculated formula	C23 H26 Br N3 O5
SMILES	Brc1ccc(cc1)CC1(N(NC(=O)OC(C)C)C(=O)OC(C)C)C(=O)Nc2c1cccc2
Title of publication	Asymmetric construction of quaternary stereocenters by direct organocatalytic amination of 3-substituted oxindoles.
Authors of publication	Qian, Zi-Qing; Zhou, Feng; Du, Tai-Ping; Wang, Bo-Lun; Ding, Miao; Zhao, Xiao-Li; Zhou, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal issue	44
Pages of publication	6753 - 6755
a	9.0411 ± 0.0003 Å
b	12.0586 ± 0.0004 Å
c	12.8583 ± 0.0004 Å
α	115.626 ± 0.001°
β	92.778 ± 0.001°
γ	107.037 ± 0.001°
Cell volume	1183.27 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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