Crystallography Open Database

Information card for entry 7100129

Preview

Coordinates	7100129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H163 N8 O25.5
Calculated formula	C108 H128 N8 O25.5
SMILES	C1c2c(c3Cc4c(c5Cc6c(c7Cc8c(c1cc(c8)NC(=O)Nc1cc8OCCCCCCCCCCOc9cc(cc(NC(=O)Nc(c3)c2)c9)OCCCCCCCCCCOc2cc(cc(NC(=O)Nc(c5)c4)c2)OCCCCCCCCCCOc2cc(cc(NC(=O)Nc(c7)c6)c2)OCCCCCCCCCCOc(c8)c1)OC)OC)OC)OC.OC.OC.OC.OC.OC.OC.OC.OC.O.O
Title of publication	Synthesis of Huge Macrocycles Using Twice a Calix[4]arene as Template
Authors of publication	Volker Bohmer; Michael Bolte; Yudong Cao.; Myroslav O. Vysotsky; Le-Yong Wang.
Journal of publication	Chemical Communications
Year of publication	2005
a	18.8106 ± 0.0015 Å
b	23.1537 ± 0.0018 Å
c	28.968 ± 0.002 Å
α	98.409 ± 0.006°
β	104.443 ± 0.006°
γ	102.706 ± 0.006°
Cell volume	11645.5 ± 1.5 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	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.