Crystallography Open Database

Information card for entry 4001633

Preview

Structure parameters

Formula	C17 H20 N2
Calculated formula	C17 H20 N2
SMILES	n1ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1
Title of publication	Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster
Authors of publication	Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	5
Pages of publication	954
a	12.717 ± 0.008 Å
b	15.016 ± 0.009 Å
c	7.578 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1447.1 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4001633.cif
178377	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001633.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001633.cif
51855	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4001633 via cif-deposit CGI script.	4001633.cif