Crystallography Open Database

Information card for entry 2101068

Preview

Coordinates	2101068.cif
Original IUCr paper	HTML

Structure parameters

Formula	C21 H18 O4
Calculated formula	C21 H18 O4
SMILES	COC(=O)C1=Cc2ccccc2C(=C(c2c1cccc2)C)C(=O)OC
Title of publication	Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters
Authors of publication	Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	6
Pages of publication	1049 - 1052
a	18.364 ± 0.004 Å
b	10.485 ± 0.003 Å
c	9.031 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1738.9 ± 1 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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