Crystallography Open Database

Information card for entry 1514345

Preview

Coordinates	1514345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Br N2 O7
Calculated formula	C24 H23 Br N2 O7
SMILES	Brc1cc2C(=O)[C@]3(N(c2cc1)C[C@H]([C@H](N(=O)=O)[C@H]3c1ccccc1)CC(=O)OCC)C(=O)OC
Title of publication	Organocatalytic Asymmetric Michael-Michael Cascade for the Construction of Highly Functionalized N-Fused Piperidinoindoline Derivatives.
Authors of publication	Zhao, Yong-Long; Wang, Yao; Cao, Jian; Liang, Yong-Min; Xu, Peng-Fei
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	2438 - 2441
a	9.6196 ± 0.0005 Å
b	14.4057 ± 0.0012 Å
c	17.108 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2370.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514345.cif
112824	2014-05-04	cif/ Updating files of 1514345 Original log message: Adding full bibliography for 1514345.cif.	1514345.cif
109520	2014-04-16	cif/ Adding structures of 1514345 via cif-deposit CGI script.	1514345.cif