Crystallography Open Database

Information card for entry 7105625

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Coordinates	7105625.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pMBC2
Chemical name	pMBC2
Formula	C28 H45 N O4
Calculated formula	C28 H45 N O4
Title of publication	Ceramide-mediated transport of chloride and bicarbonate across phospholipid membranes.
Authors of publication	Harrell, Jr, William A; Bergmeyer, Marie Liesel; Zavalij, Peter Y.; Davis, Jeffery T.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	22
Pages of publication	3950 - 3952
a	9.4304 ± 0.0005 Å
b	4.9089 ± 0.0003 Å
c	30.3484 ± 0.0016 Å
α	90°
β	91.275 ± 0.001°
γ	90°
Cell volume	1404.57 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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