Crystallography Open Database

Information card for entry 5000244

Preview

Coordinates	5000244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H64 N8 O6 S2
Calculated formula	C92 N16 O12 S4
Title of publication	X-Ray crystal structure of ascidiacyclamide, a cytotoxic cyclic peptide from ascidian
Authors of publication	Ishida, Toshimasa; Inoue, Masatoshi; Hamada, Yasumasa; Kato, Shinji; Shioiri, Takayuki
Journal of publication	Journal of the Chemical Society, Chemical Communications
Year of publication	1987
Journal issue	5
Pages of publication	370 - 371
a	15.909 ± 0.006 Å
b	13.15 ± 0.006 Å
c	12.754 ± 0.005 Å
α	90°
β	101.13 ± 0.02°
γ	90°
Cell volume	2618 Å³
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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