Crystallography Open Database

Information card for entry 7227918

Preview

Coordinates	7227918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N O3
Calculated formula	C15 H13 N O3
Title of publication	Curved fractal structures of pyridine-substituted β-diketone crystals
Authors of publication	Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	17
Pages of publication	2283
a	4.0145 ± 0.0003 Å
b	26.7097 ± 0.0018 Å
c	11.7285 ± 0.001 Å
α	90°
β	94.126 ± 0.007°
γ	90°
Cell volume	1254.34 ± 0.17 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
196375 (current)	2017-05-06	cif/ Updating files of 7227918, 7227919, 7227920 Original log message: Adding full bibliography for 7227918--7227920.cif.	7227918.cif
194436	2017-03-23	cif/ Adding structures of 7227918, 7227919, 7227920 via cif-deposit CGI script.	7227918.cif