Crystallography Open Database

Information card for entry 7152018

7152017 << 7152018 >> 7152019

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Coordinates	7152018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N O5
Calculated formula	C26 H25 N O5
SMILES	O(C(=O)c1c(C(=O)OC)c(NC(=O)c2ccccc2)c(cc1C(C)C)c1ccccc1)C
Title of publication	Practical three-component synthesis of crowded arenes with donor-acceptor substitution.
Authors of publication	Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	20
Pages of publication	7224 - 7236
a	14.6003 ± 0.0006 Å
b	17.4066 ± 0.0008 Å
c	9.8449 ± 0.0003 Å
α	90°
β	115.519 ± 0.002°
γ	90°
Cell volume	2257.91 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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