Crystallography Open Database

Information card for entry 4020692

4020691 << 4020692 >> 4020693

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Coordinates	4020692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H34 O4
Calculated formula	C23 H34 O4
SMILES	O1[C@@H]2C(=C3C=C4[C@](CC[C@@]3(CC2)C)([C@H]([C@@H](O)C4=O)C(C)C)C)COC1(C)C.O1[C@H]2C(=C3C=C4[C@@](CC[C@]3(CC2)C)([C@@H]([C@H](O)C4=O)C(C)C)C)COC1(C)C
Title of publication	Total Synthesis of Guanacastepene A: A Route to Enantiomeric Control
Authors of publication	Mihirbaran Mandal; Heedong Yun; Gregory B. Dudley; Songnian Lin; Derek S. Tan; Samuel J. Danishefsky
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	10619 - 10637
a	7.782 ± 0.0016 Å
b	11.145 ± 0.002 Å
c	13.821 ± 0.003 Å
α	72.23 ± 0.03°
β	75.48 ± 0.03°
γ	70.62 ± 0.03°
Cell volume	1061.8 ± 0.4 Å³
Cell temperature	568 ± 2 K
Ambient diffraction temperature	568 ± 2 K
Number of distinct elements	3
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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