Crystallography Open Database

Information card for entry 7062784

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Coordinates	7062784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H114 Cl2 O16
Calculated formula	C90 H96 O12
Title of publication	A facile and efficient preparation of prism[6]arene and its dual responsive complexation with 1-adamantane ammonium tetrakis[3,5-bis(trifluoromethyl)-phenyl]borate
Authors of publication	Zhang, Guojiao; Li, Zhengxiang; Pan, Zhen; Zhao, Dezhi; Han, Chengyou
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	41
Pages of publication	18910 - 18913
a	19.6087 ± 0.0018 Å
b	19.598 ± 0.002 Å
c	21.824 ± 0.002 Å
α	96.965 ± 0.006°
β	91.065 ± 0.005°
γ	95.046 ± 0.006°
Cell volume	8289 ± 1.4 Å³
Cell temperature	225 K
Ambient diffraction temperature	225 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	0.2067
Residual factor for significantly intense reflections	0.1071
Weighted residual factors for significantly intense reflections	0.2846
Weighted residual factors for all reflections included in the refinement	0.3527
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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