Crystallography Open Database

Information card for entry 7706039

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Coordinates	7706039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H32 Mn2 N2 O5 P2
Calculated formula	C41 H32 Mn2 N2 O5 P2
Title of publication	Nonbenzenoid aromaticity of 1-phosphafulvenes: synthesis of phosphacymantrenes.
Authors of publication	Liu, Yanjie; Tian, Rongqiang; Duan, Zheng; Mathey, François
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	2
Pages of publication	476 - 479
a	15.6738 ± 0.0003 Å
b	9.62622 ± 0.00018 Å
c	24.7524 ± 0.0005 Å
α	90°
β	90.0503 ± 0.0017°
γ	90°
Cell volume	3734.63 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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