Crystallography Open Database

Information card for entry 7133221

Preview

Coordinates	7133221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H35 Cl3 N0.5 O5 P
Calculated formula	C40 H36 Cl3 N2 O4 P
Title of publication	Electrochemical Synthesis of Phosphorylated Azaspiro[4.5]di/trienones through Dearomative Spirocyclization
Authors of publication	Zhou, Xiaocong; Wang, Jian; Shen, Yirui; Ma, Dumei; Zhao, Yufen; Wu, Ju
Journal of publication	Chemical Communications
Year of publication	2024
a	11.7184 ± 0.0002 Å
b	12.545 ± 0.0002 Å
c	14.696 ± 0.0002 Å
α	101.781 ± 0.001°
β	98.985 ± 0.001°
γ	114.481 ± 0.001°
Cell volume	1853.15 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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