Crystallography Open Database

Information card for entry 5000257

Preview

Coordinates	5000257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H18 Br N3 O8
Calculated formula	C11 Br N3 O8
Title of publication	The Crystal and Molecular Structure of Tetrodotoxin Hydrobromide
Authors of publication	Furusaki, Akio; Tomiie, Yujiro; Nitta, Isamu
Journal of publication	Bulletin of the Chemical Society of Japan
Year of publication	1970
Journal volume	43
Journal issue	11
Pages of publication	3332 - 3341
a	8.79 ± 0.04 Å
b	9.02 ± 0.04 Å
c	9.51 ± 0.04 Å
α	106.85 ± 0.25°
β	88.02 ± 0.25°
γ	96.38 ± 0.25°
Cell volume	717.16 Å³
Number of distinct elements	5
Space group number	1
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

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