Crystallography Open Database

Information card for entry 7117466

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Coordinates	7117466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N3 O9 S
Calculated formula	C27 H27 N3 O9 S
Title of publication	Catalytic chemoselective [3+3] cycloadditions of azomethine ylides with quinone monoimides leading to the construction of a dihydrobenzoxazine scaffold
Authors of publication	Cong-Shuai Wang; Ren-Yi Zhu; Yu-Chen Zhang; Feng Shi
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	11798
a	8.3006 ± 0.0006 Å
b	9.3862 ± 0.0007 Å
c	17.717 ± 0.0015 Å
α	86.352 ± 0.004°
β	87.532 ± 0.004°
γ	77.772 ± 0.004°
Cell volume	1345.68 ± 0.18 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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