Crystallography Open Database

Information card for entry 7100194

Preview

Coordinates	7100194.cif

Structure parameters

Formula	C22 H34 O5
Calculated formula	C22 H34 O5
SMILES	O[C@@H]1C2=CC3=C([C@H](O)CC[C@]3(CC[C@@]2([C@H]([C@@H]1O)C(C)C)C)C)COC(=O)C.O[C@H]1C2=CC3=C([C@@H](O)CC[C@@]3(CC[C@]2([C@@H]([C@H]1O)C(C)C)C)C)COC(=O)C
Title of publication	A total synthesis of Guanacastepene C
Authors of publication	G. Mehta; Kotapalli Pallavi; Jayant D. Umarye
Journal of publication	Chemical Communications
Year of publication	2005
a	9.1602 ± 0.0016 Å
b	10.6414 ± 0.0019 Å
c	12.088 ± 0.002 Å
α	81.181 ± 0.003°
β	80.027 ± 0.003°
γ	66.679 ± 0.003°
Cell volume	1061 ± 0.3 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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

Version history

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