Crystallography Open Database

Information card for entry 2000456

2000455 << 2000456 >> 2000457

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Coordinates	2000456.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H14 O3
Calculated formula	C15 H14 O3
SMILES	CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C
Title of publication	Structures of two crystalline modifications of lapachol
Authors of publication	Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	11
Pages of publication	2009 - 2013
a	6.035 ± 0.001 Å
b	9.427 ± 0.002 Å
c	20.918 ± 0.005 Å
α	90°
β	98.27 ± 0.02°
γ	90°
Cell volume	1177.7 ± 0.4 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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