Crystallography Open Database

Information card for entry 2100036

Preview

Coordinates	2100036.cif
Original IUCr paper	HTML

Structure parameters

Formula	C50 H44 N2 O6
Calculated formula	C50 H44 N2 O6
SMILES	O=C1c2cc3C(=O)N(C(=O)c3cc2C(=O)N1c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C.Oc1cccc2c1cccc2.Oc1cccc2c1cccc2
Title of publication	Space group <i>P</i>1: an update
Authors of publication	Richard E. Marsh
Journal of publication	Acta Crystallographica Section B
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	359 - 359
a	11.278 Å
b	11.879 Å
c	7.9492 Å
α	95.74°
β	97.15°
γ	102.08°
Cell volume	1024.53 Å³
Number of distinct elements	4
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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