Crystallography Open Database

Information card for entry 4000134

Preview

Coordinates	4000134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O6
Calculated formula	C48 H42 N2 O12
SMILES	COC(=O)c1ccccc1N(c1ccccc1C(=O)OC)c1ccccc1C(=O)OC
Journal of publication	Chemistry of Materials
Year of publication	2002
a	8.2076 ± 0.0008 Å
b	8.8702 ± 0.0008 Å
c	15.687 ± 0.002 Å
α	102.006 ± 0.004°
β	91.049 ± 0.003°
γ	103.99 ± 0.01°
Cell volume	1081.1 ± 0.2 Å³
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	0.0942
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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