Crystallography Open Database

Information card for entry 1507410

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Structure parameters

Formula	C31 H28 N4 O7
Calculated formula	C31 H28 N4 O7
SMILES	Oc1ccc(cc1OCC)C=NOc1ccc(cc1C)C=NOc1ccc(cc1N(=O)=O)C=NOCc1ccccc1
Title of publication	Iterative oxime bond chemistry leads to protease inhibitors.
Authors of publication	Renaudet, Olivier; Reymond, Jean-Louis
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	24
Pages of publication	4693 - 4696
a	10.2388 ± 0.0008 Å
b	11.3897 ± 0.001 Å
c	12.7626 ± 0.001 Å
α	85.466 ± 0.01°
β	73.957 ± 0.009°
γ	76.834 ± 0.01°
Cell volume	1392.6 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0789
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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