Crystallography Open Database

Information card for entry 7241322

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Structure parameters

Common name	TPCB
Chemical name	rctt-tetrakis-(5-pyrimidyl)-cyclobutane
Formula	C20 H16 N8
Calculated formula	C20 H16 N8
Title of publication	Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder
Authors of publication	Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan
Journal of publication	CrystEngComm
Year of publication	2020
a	15.666 ± 0.0016 Å
b	7.1513 ± 0.0007 Å
c	17.0738 ± 0.0017 Å
α	90°
β	111.938 ± 0.005°
γ	90°
Cell volume	1774.3 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7241322.cif
256842	2020-09-30	cif/ Adding structures of 7241322, 7241323 via cif-deposit CGI script.	7241322.cif