Crystallography Open Database

Information card for entry 1572698

Preview

Coordinates	1572698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O
Calculated formula	C16 H17 N O
Title of publication	Flexible organic crystals with multi-stimuli-responsive CPL for broadband multicolor optical waveguides.
Authors of publication	Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	42
Pages of publication	17444 - 17452
a	20.0857 ± 0.0012 Å
b	5.8189 ± 0.0004 Å
c	14.3076 ± 0.0009 Å
α	90°
β	128.517 ± 0.002°
γ	90°
Cell volume	1308.39 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
296385 (current)	2024-12-06	cif/ Updating files of 1572697, 1572698 Original log message: Adding full bibliography for 1572697--1572698.cif.	1572698.cif
294921	2024-09-28	cif/ Adding structures of 1572697, 1572698 via cif-deposit CGI script.	1572698.cif