Crystallography Open Database

Information card for entry 7133222

Preview

Coordinates	7133222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H51.67 N2 O8 P2
Calculated formula	C58.0018 H51.6688 N2 O8.0006 P2
Title of publication	Electrochemical synthesis of phosphorylated azaspiro[4.5]di/trienones through dearomative spirocyclization.
Authors of publication	Zhou, Xiaocong; Wang, Jian; Ma, Dumei; Shen, Yirui; Zhao, Yufen; Wu, Ju
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	57
Pages of publication	7351 - 7354
a	21.3419 ± 0.0005 Å
b	21.1766 ± 0.0005 Å
c	21.9827 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9935.1 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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