Crystallography Open Database

Information card for entry 4025741

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Coordinates	4025741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O5
Calculated formula	C24 H19 N O5
Title of publication	A Reductive-Coupling plus Nazarov Cyclization Sequence in the Asymmetric Synthesis of Five-Membered Carbocycles
Authors of publication	Daniel J. Kerr; Jonathan M. White; Bernard L. Flynn
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	7073 - 7084
a	9.483 ± 0.002 Å
b	22.611 ± 0.005 Å
c	10.386 ± 0.002 Å
α	90°
β	114.551 ± 0.004°
γ	90°
Cell volume	2025.6 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0571
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.237
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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