Crystallography Open Database

Information card for entry 7132790

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Coordinates	7132790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 N2 O5
Calculated formula	C29 H32 N2 O5
Title of publication	A highly diastereoselective (5+1) annulation of allenoates and pyrazolones catalyzed by CH<sub>3</sub>OK.
Authors of publication	Lai, Jingxiong; Huang, You
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	15
Pages of publication	2066 - 2069
a	11.4759 ± 0.0004 Å
b	11.5363 ± 0.0003 Å
c	19.7187 ± 0.0007 Å
α	85.779 ± 0.003°
β	79.152 ± 0.003°
γ	85.444 ± 0.003°
Cell volume	2551.2 ± 0.15 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0651
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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