Crystallography Open Database

Information card for entry 4020405

4020404 << 4020405 >> 4020406

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Structure parameters

Formula	C44 H64 Cl F8 N5
Calculated formula	C44 H64 Cl F8 N5
SMILES	[Cl-].Fc1c2C(c3[nH]c(C(c4[nH]c(C(c5[nH]c(C(c([nH]2)c1F)(C)C)c(c5F)F)(C)C)c(F)c4F)(C)C)c(c3F)F)(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC
Authors of publication	Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	5982 - 5986
a	13.6372 ± 0.0002 Å
b	17.3214 ± 0.0002 Å
c	21.0872 ± 0.0003 Å
α	65.928 ± 0.001°
β	85.442 ± 0.001°
γ	81.976 ± 0.001°
Cell volume	4502.01 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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