Crystallography Open Database

Information card for entry 2000789

2000788 << 2000789 >> 2000790

Preview

Coordinates	2000789.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H18 N2 O3
Calculated formula	C10 H18 N2 O3
SMILES	O=C1N[C@@H](CCCCCC(=O)O)[C@H](N1)C.O=C1N[C@H](CCCCCC(=O)O)[C@@H](N1)C
Title of publication	Structure of <small>DL</small>-desthiobiotin
Authors of publication	Okabe, N.; Tatsumi, M.; Sasaki, Y.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	7
Pages of publication	1326 - 1327
a	9.149 ± 0.002 Å
b	10.934 ± 0.001 Å
c	12.064 ± 0.001 Å
α	90°
β	93.14 ± 0.01°
γ	90°
Cell volume	1205 ± 0.3 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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