Crystallography Open Database

Information card for entry 8000148

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Coordinates	8000148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H92 Cl6 O15
Calculated formula	C62 H91 Cl6 O15
Title of publication	Four Pimarane Diterpenes from Marine Fungus: Chloroform Incorporated in Crystal Lattice for Absolute Configuration Analysis by X-ray
Authors of publication	Yoshida, Sanae; Kito, Keijiro; Ooi, Takashi; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori
Journal of publication	Chemistry Letters
Year of publication	2007
Journal volume	36
Journal issue	11
Pages of publication	1386
a	13.859 ± 0.006 Å
b	18.244 ± 0.007 Å
c	25.48 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	6442 ± 5 Å³
Cell temperature	173.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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