Crystallography Open Database

Information card for entry 7113633

Preview

Coordinates	7113633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 O8
Calculated formula	C25 H18 O8
Title of publication	Synthesis and inclusion properties of a novel macrocyclic hexaketone monohydrate with a hemiacetal structure
Authors of publication	Ohkoshi, Masanori; Horino, Takeru; Yoshida, Masato; Iyoda, Masahiko
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	20
Pages of publication	2586 - 2587
a	20.486 ± 0.007 Å
b	19.08 ± 0.01 Å
c	13.742 ± 0.005 Å
α	90°
β	131.58 ± 0.01°
γ	90°
Cell volume	4018 ± 3 Å³
Cell temperature	296.2 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 significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	7104851
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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