Crystallography Open Database

Information card for entry 1518676

Preview

Coordinates	1518676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 N O2 Si
Calculated formula	C17 H25 N O2 Si
SMILES	[Si](C1=C2C(CNC(=O)c3c(cccc3)C2)CC1)(C)(C)C.O
Title of publication	Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams
Authors of publication	Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	4
Pages of publication	2275
a	7.8451 ± 0.0006 Å
b	10.8055 ± 0.001 Å
c	41.681 ± 0.003 Å
α	90°
β	92.188 ± 0.005°
γ	90°
Cell volume	3530.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1392
Residual factor for significantly intense reflections	0.1006
Weighted residual factors for significantly intense reflections	0.2419
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 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.	1518676.cif
134894	2015-04-06	cif/ Updating files of 1518676, 1518677 Original log message: Adding full bibliography for 1518676--1518677.cif.	1518676.cif
131213	2015-02-06	cif/ Adding structures of 1518676, 1518677 via cif-deposit CGI script.	1518676.cif