Crystallography Open Database

Information card for entry 7238718

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Coordinates	7238718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Cl N3 O5
Calculated formula	C23 H24 Cl N3 O5
Title of publication	Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement
Authors of publication	Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	24
Pages of publication	8949
a	9.3812 ± 0.0014 Å
b	19.472 ± 0.003 Å
c	13.19 ± 0.0019 Å
α	90°
β	106.254 ± 0.002°
γ	90°
Cell volume	2313.1 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1876
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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