Crystallography Open Database

Information card for entry 1554243

Preview

Coordinates	1554243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H38 Cl2 N2 O
Calculated formula	C47 H38 Cl2 N2 O
SMILES	C(#N)c1ccc2c(c1)C=CC1(N(c3ccc(cc3C1(C)C)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C)O2.ClCCl
Title of publication	An AIE fluorescent switch with multi-stimuli responsive properties and applications for quantitatively detecting pH value, sulfite anion and hydrostatic pressure
Authors of publication	Lin, Tingting; Su, Xing; Wang, Kai; Li, Minjie; Guo, Hongwei; Liu, Lulu; Zou, Bo; Zhang, Yu-Mo; Liu, Yifei; Zhang, Sean Xiao-An
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	6
Pages of publication	1052
a	20.728 ± 0.009 Å
b	11.337 ± 0.005 Å
c	17.818 ± 0.008 Å
α	90°
β	107.633 ± 0.008°
γ	90°
Cell volume	3990 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.2228
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.247
Weighted residual factors for all reflections included in the refinement	0.3413
Goodness-of-fit parameter for all reflections included in the refinement	0.83
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237055 (current)	2019-11-24	cif/ Adding structures of 1554243 via cif-deposit CGI script.	1554243.cif