Crystallography Open Database

Information card for entry 7131672

Preview

Coordinates	7131672.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CP-Py-2-DCB
Formula	C56 H34 Cl4 O8
Calculated formula	C56 H34 Cl4 O8
Title of publication	Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.
Authors of publication	Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	47
Pages of publication	7224 - 7227
a	7.5511 ± 0.0004 Å
b	11.4435 ± 0.0008 Å
c	26.3091 ± 0.0016 Å
α	90°
β	92.902 ± 0.005°
γ	90°
Cell volume	2270.5 ± 0.2 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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	0.132
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
284856 (current)	2023-07-05	cif/ Updating files of 7131672, 7131673, 7131674, 7131675, 7131676, 7131677, 7131678 Original log message: Adding full bibliography for 7131672--7131678.cif.	7131672.cif
283875	2023-05-19	cif/ Adding structures of 7131672, 7131673, 7131674, 7131675, 7131676, 7131677, 7131678 via cif-deposit CGI script.	7131672.cif