Crystallography Open Database

Information card for entry 4020455

4020454 << 4020455 >> 4020456

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Coordinates	4020455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N O7
Calculated formula	C21 H21 N O7
SMILES	O=C1N([C@@H]([C@H](c2cc(OC)c(OC)cc12)C(=O)OC)c1cc2OCOc2cc1)C.O=C1N([C@H]([C@@H](c2cc(OC)c(OC)cc12)C(=O)OC)c1cc2OCOc2cc1)C
Authors of publication	Xiangshu Xiao; Mark Cushman
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	6496 - 6498
a	11.0652 ± 0.0013 Å
b	14.1943 ± 0.0019 Å
c	13.049 ± 0.002 Å
α	90°
β	113.227 ± 0.011°
γ	90°
Cell volume	1883.4 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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