Crystallography Open Database

Information card for entry 2003662

2003661 << 2003662 >> 2003663

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Coordinates	2003662.cif
Original IUCr paper	HTML

Structure parameters

Formula	C17 H19 N3
Calculated formula	C17 H19 N3
SMILES	C1CN2CCCN3C2N(C1)c1cccc2c1c3ccc2
Title of publication	A Naphthalene-Fused Tricyclic Orthoamide
Authors of publication	Baradarani, M. M.; Beddoes, R. L.; Mills, O. S.; Joule, J. A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	7
Pages of publication	1345 - 1347
a	25.166 ± 0.001 Å
b	8.588 ± 0.001 Å
c	18.382 ± 0.001 Å
α	90°
β	136.53 ± 0.04°
γ	90°
Cell volume	2733 ± 2 Å³
Cell temperature	296 ± 1 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.041
Goodness-of-fit parameter for significantly intense reflections	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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