Crystallography Open Database

Information card for entry 7100854

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Structure parameters

Formula	C188 H168 N8 O4 S4
Calculated formula	C188 H168 N8 O4 S4
SMILES	S1SCCOc2cccc(C3=C4N=C(C=c5[nH]c(=C(C6=NC(=Cc7[nH]c3c(c7CCCCCC)C)C(=C6C)CCCCCC)c3cc(OCCSSCCOc6cc(C7=c8[nH]c(=CC9=NC(=C(c%10[nH]c(c(c%10C)CCCCCC)C=C%10N=C7C(=C%10CCCCCC)C)c7cc(OCC1)ccc7)C(=C9CCCCCC)C)c(c8C)CCCCCC)ccc6)ccc3)c(c5CCCCCC)C)C(=C4C)CCCCCC)c2.c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3c41
Title of publication	Inclusion of C60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry
Authors of publication	Jeremy K. M. Sanders; Thibaut Jarrosson; Amy L. Kieran; Sofia Ioana Pascu
Journal of publication	Chemical Communications
Year of publication	2005
a	20.3893 ± 0.0019 Å
b	29.84 ± 0.003 Å
c	23.181 ± 0.002 Å
α	90°
β	90.746 ± 0.002°
γ	90°
Cell volume	14103 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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