Crystallography Open Database

Information card for entry 2104299

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Structure parameters

Formula	C43 H30 N2 O8
Calculated formula	C43 H30 N2 O8
SMILES	C[C@@H](C[C@H](C)OC(=O)c1c(N2C(=O)c3cccc4cccc(c34)C2=O)cccc1)OC(=O)c1c(N2C(=O)c3cccc4cccc(c34)C2=O)cccc1
Title of publication	Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods
Authors of publication	Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek
Journal of publication	Acta Crystallographica Section B
Year of publication	2009
Journal volume	65
Journal issue	1
Pages of publication	86 - 95
a	9.2897 ± 0.0007 Å
b	10.0849 ± 0.0007 Å
c	11.0897 ± 0.0008 Å
α	103.203 ± 0.006°
β	111.486 ± 0.007°
γ	107.147 ± 0.006°
Cell volume	855.11 ± 0.14 Å³
Cell temperature	140 ± 0.5 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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