Crystallography Open Database

Information card for entry 4022625

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Structure parameters

Formula	C24 H20 N2 O2
Calculated formula	C24 H20 N2 O2
SMILES	O=C1C(=C(Nc2ccccc2C)c2ccccc12)C(=O)Nc1ccccc1C
Title of publication	Reactivity of Indanedioneketene Dimer with Amines
Authors of publication	Elizabeth Malamidou-Xenikaki; Spyros Spyroudis; Maria Tsanakopoulou; Harald Krautscheid
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	502 - 508
a	7.0996 ± 0.0008 Å
b	10.1818 ± 0.0011 Å
c	13.5661 ± 0.0014 Å
α	81.598 ± 0.008°
β	81.18 ± 0.008°
γ	69.988 ± 0.008°
Cell volume	905.9 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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