Crystallography Open Database

Information card for entry 1554650

Preview

Coordinates	1554650.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	EM
Formula	C30 H29 N5 O
Calculated formula	C30 H29 N5 O
SMILES	N1(c2ccccc2C(C=C1/C=C/c1ccc(N2CCN(CC2)C(=O)C(=C)C)cc1)=C(C#N)C#N)CC
Title of publication	Fluorescent thermometer based on a quinolinemalononitrile copolymer with aggregation-induced emission characteristics
Authors of publication	Yang, Jinfeng; Gu, Kaizhi; Shi, Chuanxing; Li, Meng; Zhao, Ping; Zhu, Wei-Hong
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	8
Pages of publication	1503
a	22.0567 ± 0.0018 Å
b	7.7405 ± 0.0006 Å
c	15.5138 ± 0.0014 Å
α	90°
β	102.762 ± 0.007°
γ	90°
Cell volume	2583.2 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2105
Weighted residual factors for all reflections included in the refinement	0.246
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238025 (current)	2019-11-24	cif/ Adding structures of 1554650 via cif-deposit CGI script.	1554650.cif