Crystallography Open Database

Information card for entry 7232661

Preview

Coordinates	7232661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H59 N7 O2
Calculated formula	C34 H59 N7 O2
Title of publication	Cold crystallization in the mixed system of adenine and thymine dodecyl derivatives
Authors of publication	Kimijima, Ayaka; Honda, Akinori; Nomoto, Kuniharu; Miyamura, Kazuo
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	20
Pages of publication	3142
a	8.403 ± 0.0014 Å
b	10.9764 ± 0.0018 Å
c	20.319 ± 0.003 Å
α	99.433 ± 0.002°
β	94.128 ± 0.002°
γ	109.784 ± 0.002°
Cell volume	1723.2 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
223617 (current)	2019-11-07	cif/ Updating files of 7232661 Original log message: Adding full bibliography for 7232661.cif.	7232661.cif
214803	2019-04-27	cif/ Adding structures of 7232661 via cif-deposit CGI script.	7232661.cif