Crystallography Open Database

Information card for entry 2002069

2002068 << 2002069 >> 2002070

Preview

Coordinates	2002069.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H19 Cl2 N O
Calculated formula	C15 H19 Cl2 N O
SMILES	O=C1NC(=C2[C@@H]([C@H]1Cl)CC/C=C/CC/C=C\CC2)Cl.O=C1NC(=C2[C@H]([C@@H]1Cl)CC/C=C/CC/C=C\CC2)Cl
Title of publication	(4<i>E</i>,8<i>Z</i>,12<i>E</i>)-13,16-Dichloro-14-azabicyclo[10.4.0]hexadeca-4,8,12-trien-15-one: a thermal cycloaddition product
Authors of publication	Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.
Journal of publication	Acta Crystallographica Section C
Year of publication	1993
Journal volume	49
Journal issue	1
Pages of publication	103 - 104
a	13.978 ± 0.008 Å
b	7.467 ± 0.009 Å
c	16.452 ± 0.009 Å
α	90°
β	114.11 ± 0.04°
γ	90°
Cell volume	1567 ± 2 Å³
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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