Crystallography Open Database

Information card for entry 7100097

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Coordinates	7100097.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	oxabridged spirocyclic six-membered-ring system
Formula	C17 H18 O3
Calculated formula	C17 H18 O3
SMILES	O1[C@@H]2C(=O)C([C@]1(C[C@@]12C(=O)c2c(C1)cccc2)C)(C)C.O1[C@H]2C(=O)C([C@@]1(C[C@]12C(=O)c2c(C1)cccc2)C)(C)C
Title of publication	Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity
Authors of publication	Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji
Journal of publication	Chemical Communications
Year of publication	2005
a	11.322 ± 0.003 Å
b	9.237 ± 0.002 Å
c	13.982 ± 0.004 Å
α	90°
β	103.01 ± 0.005°
γ	90°
Cell volume	1424.8 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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