Crystallography Open Database

Information card for entry 1558585

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Structure parameters

Formula	C48 H30 F6 O6
Calculated formula	C48 H30 F6 O6
Title of publication	Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors
Authors of publication	Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori
Journal of publication	Chemical Science
Year of publication	2020
a	11.3765 ± 0.0016 Å
b	13.951 ± 0.002 Å
c	14.046 ± 0.002 Å
α	69.423 ± 0.002°
β	70.729 ± 0.002°
γ	86.627 ± 0.002°
Cell volume	1966 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0633
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558585.cif
254260	2020-07-14	cif/ Adding structures of 1558584, 1558585 via cif-deposit CGI script.	1558585.cif