Crystallography Open Database

Information card for entry 2007337

2007336 << 2007337 >> 2007338

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Coordinates	2007337.cif
Original IUCr paper	HTML

Structure parameters

Formula	C29 H23 N5
Calculated formula	C29 H23 N5
SMILES	N1=N(=N[C@]2(N(C[C@@H]([C@@]12c1ccccc1)C#N)c1ccccc1)c1ccccc1)c1ccccc1.N1=N(=N[C@@]2(N(C[C@H]([C@]12c1ccccc1)C#N)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles
Authors of publication	Ramaiah, D.; Rath, Nigam P.; George, M. V.
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	872 - 875
a	9.2081 ± 0.0001 Å
b	10.962 ± 0.0001 Å
c	13.2238 ± 0.0001 Å
α	67.053 ± 0.001°
β	84.532 ± 0.001°
γ	68.754 ± 0.001°
Cell volume	1143.98 ± 0.02 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for all reflections	0.1301
Weighted residual factors for significantly intense reflections	0.1188
Goodness-of-fit parameter for all reflections	1.015
Goodness-of-fit parameter for significantly intense reflections	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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