Crystallography Open Database

Information card for entry 7111367

Preview

Coordinates	7111367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H43 B2 Cl2 F9 N8 O9
Calculated formula	C21 H41 B1.99975 Cl2.00025 F8.99998 N8 O9.00002
Title of publication	Imidazolidinium-based robust crypt with unique selectivity for fluoride anion
Authors of publication	Zhang, Bing-guang; Cai, Ping; Duan, Chun-ying; Miao, Ren; Zhu, Long-gen; Niitsu, Takashi; Inoue, Hakuai
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	19
Pages of publication	2206 - 2207
a	18.247 ± 0.001 Å
b	19.0596 ± 0.0009 Å
c	20.7977 ± 0.0011 Å
α	90.15 ± 0.001°
β	91.85 ± 0.001°
γ	108.676 ± 0.001°
Cell volume	6848 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1923
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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