Crystallography Open Database

Information card for entry 4023719

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Coordinates	4023719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H133 N7 O7
Calculated formula	C89 H119 N7 O7
Title of publication	Azacalix[7]arene Heptamethyl Ether: Preparation, Nanochannel Crystal Structure, and Selective Adsorption of Carbon Dioxide
Authors of publication	Hirohito Tsue; Kazuhiro Matsui; Koichi Ishibashi; Hiroki Takahashi; Satoshi Tokita; Kohei Ono; Rui Tamura
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	7748 - 7755
a	18.4577 ± 0.0013 Å
b	24.5362 ± 0.0019 Å
c	19.5227 ± 0.0014 Å
α	90°
β	101.494 ± 0.002°
γ	90°
Cell volume	8664.2 ± 1.1 Å³
Cell temperature	113.1 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 significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.3759
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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