Crystallography Open Database

Information card for entry 4020620

4020619 << 4020620 >> 4020621

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Coordinates	4020620.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Paquette 1304
Formula	C31 H39 N O7
Calculated formula	C31 H39 N O7
SMILES	O=N(=O)c1ccc(C(=O)O[C@@]23C(=O)C(=C(OC(C)C)[C@@H]2C[C@@]24CC[C@H]([C@@]2(CC=C34)C)C(C)C)OC(C)C)cc1.O=N(=O)c1ccc(C(=O)O[C@]23C(=O)C(=C(OC(C)C)[C@H]2C[C@]24CC[C@@H]([C@]2(CC=C34)C)C(C)C)OC(C)C)cc1
Title of publication	Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates
Authors of publication	Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	8154 - 8161
a	14.199 ± 0.001 Å
b	15.373 ± 0.001 Å
c	15.704 ± 0.002 Å
α	115.918 ± 0.003°
β	90.979 ± 0.003°
γ	107.241 ± 0.005°
Cell volume	2901.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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