Crystallography Open Database

Information card for entry 7158238

Preview

Coordinates	7158238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Br N O7 P
Calculated formula	C32 H35 Br N O7 P
Title of publication	Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.
Authors of publication	Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	36
Pages of publication	7861 - 7866
a	6.5171 ± 0.0003 Å
b	9.8455 ± 0.0006 Å
c	48.456 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3109.1 ± 0.3 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	6
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	0.0908
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	0.819
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
269782 (current)	2021-10-06	cif/ Updating files of 7158237, 7158238 Original log message: Adding full bibliography for 7158237--7158238.cif.	7158238.cif
268075	2021-08-14	cif/ Adding structures of 7158237, 7158238 via cif-deposit CGI script.	7158238.cif