Crystallography Open Database

Information card for entry 2000442

2000441 << 2000442 >> 2000443

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Coordinates	2000442.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H14 O2
Calculated formula	C15 H14 O2
SMILES	O=C1[C@@H]2[C@@H]3C(=O)[C@H]4[C@H]5[C@H]([C@@H]2C=C[C@@H]([C@@H]14)C5)C=C3.O=C1[C@H]2[C@H]3C(=O)[C@@H]4[C@@H]5[C@@H]([C@H]2C=C[C@H]([C@H]14)C5)C=C3
Title of publication	Structure of pentacyclo[8.5.0.0^2,7^.0^4,13^.0^5,1^]pentadeca-8,14-diene-3,6-dione
Authors of publication	Nethaji, M.; Pattabhi, V.; Harikrishna Reddy, S.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	11
Pages of publication	1980 - 1981
a	7.7505 ± 0.0009 Å
b	16.484 ± 0.002 Å
c	8.7383 ± 0.0009 Å
α	90°
β	101.16 ± 0.01°
γ	90°
Cell volume	1095.3 ± 0.2 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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