Crystallography Open Database

Information card for entry 4020715

4020714 << 4020715 >> 4020716

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Coordinates	4020715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 N16 O45
Calculated formula	C36 H63.8 N16 O45
Title of publication	Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies
Authors of publication	Jason Lagona; James C. Fettinger; Lyle Isaacs
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	10381 - 10392
a	11.4566 ± 0.0005 Å
b	12.8691 ± 0.0006 Å
c	21.024 ± 0.0009 Å
α	92.876 ± 0.001°
β	98.905 ± 0.001°
γ	106.952 ± 0.001°
Cell volume	2914.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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