Crystallography Open Database

Information card for entry 7202577

7202576 << 7202577 >> 7202578

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Structure parameters

Formula	C43 H49 O16 P2
Calculated formula	C43 H46 O16 P2
SMILES	P(=O)(OC)(C)OC.O1c2c3Cc4cc5c(OCOc6c(cc7c(OCOc8c(cc9Cc(c3)c(OCOc9c8C)c2C)C7)c6C)C5)c(c4OC1C(=O)O)C.P(=O)(C)(OC)OC
Title of publication	Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection
Authors of publication	Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	18
Pages of publication	1809
a	15.888 ± 0.005 Å
b	16.518 ± 0.005 Å
c	33.306 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8741 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.3308
Weighted residual factors for all reflections included in the refinement	0.3328
Goodness-of-fit parameter for all reflections included in the refinement	1.525
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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