Crystallography Open Database

Information card for entry 7156139

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Structure parameters

Formula	C27 H34 O3 Si
Calculated formula	C27 H34 O3 Si
Title of publication	A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.
Authors of publication	Halder, Joydev; Das, Debabrata; Nanda, Samik
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	14
Pages of publication	2549 - 2575
a	8.2816 ± 0.0014 Å
b	11.7445 ± 0.0019 Å
c	25.888 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2518 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.116
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156139.cif
230789	2019-11-17	cif/ Updating files of 7156136, 7156137, 7156138, 7156139 Original log message: Adding full bibliography for 7156136--7156139.cif.	7156139.cif
206783	2018-03-06	cif/ Adding structures of 7156136, 7156137, 7156138, 7156139 via cif-deposit CGI script.	7156139.cif