Crystallography Open Database

Information card for entry 4100239

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Coordinates	4100239.cif

Structure parameters

Formula	C47 H53 N2 O7 S
Calculated formula	C47 H53 N2 O7 S
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.1857 ± 0.0002 Å
b	12.2691 ± 0.0003 Å
c	16.4143 ± 0.0004 Å
α	87.112 ± 0.001°
β	74.288 ± 0.001°
γ	76.143 ± 0.001°
Cell volume	2105.14 ± 0.08 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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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