Crystallography Open Database

Information card for entry 7160565

Preview

Coordinates	7160565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Cl2 O
Calculated formula	C9 H8 Cl2 O
Title of publication	Substituted cyclopropanols <i>via</i> sequential cyclopropanation and oxidative hydrolysis of vinylboronates.
Authors of publication	Shuvakin, Serhii I.; Serhieiev, Oleksii M.; Dashko, Maksym O.; Pendiukh, Viacheslav V.; Ivonin, Sergey P.; Shishkina, Svitlana V.; Rozhenko, Alexander B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	26
Pages of publication	6343 - 6348
a	31.0324 ± 0.0014 Å
b	31.0324 ± 0.0014 Å
c	7.7109 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7425.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301101 (current)	2025-07-06	cif/ Updating files of 7160565 Original log message: Adding full bibliography for 7160565.cif.	7160565.cif
299805	2025-05-24	cif/ Adding structures of 7160565 via cif-deposit CGI script.	7160565.cif