Crystallography Open Database

Information card for entry 4020588

4020587 << 4020588 >> 4020589

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Structure parameters

Formula	C26 H19 O7 S
Calculated formula	C26 H19 O7 S
SMILES	O=S(=O)(C1c2c3c(c(=O)oc2c2c(C1=O)c(OC)ccc2)cc(cc3OC)C)c1ccccc1
Title of publication	A Brief and Convergent Synthetic Route to Defucogilvocarcin M Chromophore: The Formal Synthesis of WS-5995 A and C
Authors of publication	Asit Patra; Pallab Pahari; Sutapa Ray; Dipakranjan Mal
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	9017 - 9020
a	8.323 Å
b	25.216 Å
c	10.559 Å
α	90°
β	104.92°
γ	90°
Cell volume	2141.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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