Crystallography Open Database

Information card for entry 7051502

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Structure parameters

Formula	C28 H19 Cl N2 O4
Calculated formula	C28 H19 Cl N2 O4
SMILES	Clc1ccc(cc1)C(=O)Oc1cc2c(nn(c2)c2ccc(OC(=O)c3ccc(cc3)C)cc2)cc1
Journal of publication	New Journal of Chemistry
Year of publication	1999
a	6.0244 ± 0.0006 Å
b	12.731 ± 0.002 Å
c	15.0026 ± 0.0013 Å
α	75.052 ± 0.008°
β	83.802 ± 0.006°
γ	86.817 ± 0.009°
Cell volume	1104.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1092
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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