Crystallography Open Database

Information card for entry 1567521

Preview

Coordinates	1567521.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	insuetusin B6
Formula	C26.75 H41 O6.75
Calculated formula	C26.75 H41 O6.75
Title of publication	Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes
Authors of publication	Tang, Jia; Matsuda, Yudai
Journal of publication	Chemical Science
Year of publication	2022
a	10.086 ± 0.0002 Å
b	15.2512 ± 0.0003 Å
c	17.1263 ± 0.0003 Å
α	91.211 ± 0.001°
β	99.494 ± 0.001°
γ	98.375 ± 0.001°
Cell volume	2567.88 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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