Crystallography Open Database

Information card for entry 7109762

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Coordinates	7109762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 N O3
Calculated formula	C26 H31 N O3
Title of publication	Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state
Authors of publication	Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	8713
a	9.4837 ± 0.0003 Å
b	11.08 ± 0.0003 Å
c	11.5198 ± 0.0003 Å
α	90°
β	106.749 ± 0.001°
γ	90°
Cell volume	1159.14 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.243
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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